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Dissertations / Theses on the topic 'Fourier-transform spectroscopy'

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Published: 4 June 2021
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1

Srivastava, Rupesh. "Fourier transform infrared spectroscopy of diamond." Thesis, Royal Holloway, University of London, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.363066.

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2

Wiggins, Graham C. "Fourier transform spectroscopy of semiconductor heterostructures." Thesis, University of Oxford, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.276832.

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3

Hong, Xichun. "Doppler Shifted Fourier Transform Emission Spectroscopy /." The Ohio State University, 1995. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487929745336654.

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4

Li, Gang. "Fourier Transform Spectroscopy of Selected Transient Species." Thesis, University of Waterloo, 2003. http://hdl.handle.net/10012/1230.

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The procedures and results of experimental and/or theoretical studies of four transient molecules, GeO, WO, BeH, and MgH are reported in the thesis. Two of them, GeO and WO, are diatomic molecules composed of relatively heavy atoms, and the other two are diatomic molecules with hydrogen as one of their component atoms. The GeO species was generated using a high temperature furnace. The rovibrational spectrum of five isotopomers were detected in emission using a Bruker IFS 120 HR Fourier transform spectrometer. Combined-isotopomer Dunham-type molecular constants have been derived for GeO using the DSParFit computer program. Analysis shows that the Born-Oppenheimer approximation is valid, as expected, for a molecule containing heavy atoms. The WO molecule was generated using a microwave discharge cell, and the spectra of electronic transitions of various systems were detected in emission using both the Bruker IFS 120 HR Fourier transform spectrometer at Waterloo and the McMath Pierce One-Meter Fourier transform spectrometer at the National Solar Observatory in Arizona. The ground electronic state has been confirmed to be X³Σ- based on the analysis of seven 0-0 bands. BeH and MgH are typical molecules with hydrogen as one of their component atoms, and the effects of Born-Oppenheimer breakdown were expected. Both of these molecules have rotational perturbations in their excited electronic states. A 'new' method of data processing was used, i. e. , treating the electronic data as if they were from fluorescence series. Thus the harmful influence of the perturbed upper electronic states on the ground electronic state molecular constants is eliminated. By using the DSParFit computer program, accurate sets of combined-isotopomer Dunham-type molecular constants have been derived for the ground electronic states of the two molecules, and Born-Oppenheimer breakdown correction terms have been obtained.
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5

Vander, Auwera Jean. "Quantitative high resolution Fourier transform infrared spectroscopy." Doctoral thesis, Universite Libre de Bruxelles, 2004. http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/211133.

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Our work falls within the field of high resolution spectroscopy of gas phase molecules in the far-, mid- and near-infrared ranges. Its guiding line are absorption spectral intensities, dealt with experimentally and theoretically. In particular, we developed in our laboratory the field of intensities measurements of vibration-rotation lines using Fourier transform spectrometers, with a precision of about 0.5 % and an accuracy of 2-4 % for chemically stable species. We study chemically stable (CO2, N2O, C2H6, OCS, C2H2) and unstable (HOCl, HCOOH et HNO3) compounds. We also measure infrared absorption cross section spectra for CFC replacements. Some of our measured intensities, of direct interest for the study of planetary atmospheres, are now incorporated in international spectroscopic databases. Others are used to develop global theoretical models of molecules, in relationship with intra-molecular dynamics./Nos travaux de recherches relèvent de la spectroscopie à haute résolution de molécules en phase gazeuse dans les domaines de l’infrarouge lointain, moyen et proche. Ils ont pour ligne directrice les intensités spectrales d’absorption, abordées expérimentalement et théoriquement. Nous avons en particulier développé dans notre laboratoire le domaine de la mesure d’intensités d’absorption de raies de vibration-rotation à l’aide de spectromètres à transformée de Fourier. Nous réalisons ces mesures avec une précision d’environ 0.5 % et une exactitude d'environ 2-4 % pour les espèces chimiquement stables. Nous étudions des composés chimiquement stables (CO2, N2O, C2H6, OCS, C2H2) et instables (HOCl, HCOOH et HNO3). Nous mesurons également des spectres de sections efficaces d’absorption infrarouge pour des substituts des chlorofluorocarbures (CFC). Certaines de nos mesures d’intensité, d’intérêt direct pour l’étude d’atmosphères planétaires, sont aujourd’hui incorporées dans les bases de données spectroscopiques internationales. D’autres sont utilisées pour développer des modèles théoriques globaux de molécules, en liaison avec la dynamique intramoléculaire.
Agrégation de l'enseignement supérieur, Orientation sciences
info:eu-repo/semantics/nonPublished
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6

Bennett, Robert. "New development in Fourier transform Raman spectroscopy." Thesis, University of Southampton, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.242461.

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7

Pellow-Jarman, Martin Vincent. "Further developments in Fourier transform vibrational spectroscopy." Thesis, University of Southampton, 1994. https://eprints.soton.ac.uk/406870/.

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8

Dyer, Christopher David. "Chemical applications of Fourier-transform Raman spectroscopy." Thesis, University of Southampton, 1995. https://eprints.soton.ac.uk/424218/.

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Details are presented of five studies in the application of Fourier transform (FT) Raman spectroscopy. The studies encompass a diverse range of chemical species, and indicate the wide applicability of FT-Raman methods. A series of coloured sulphur-containing organic compounds based on the thione ring structure were analysed. Characteristic group frequencies were determined, enabling the thione ring structure to be easily identified. Spectral changes on reaction of thiones or related oxones to yield tetrathiafulvalenes (TTFs) were discovered, whilst the differentiation of thione and oxone species was shown to be straightforward. The novel allenylketenimine-tetracyanoethylene (TCNE) system was investigated, in order to provide the first vibrational assignment of these compounds. Characteristic frequencies of the underlying cyclic structure were determined. The extremely weak IR absorption of the nitrile (-CN) group was noted, contrasted against the reliable Raman signature, and discussed. The first study of the hydrated y-alumina surface was undertaken in a combined FTIR/FT-Raman study, that unambiguously determined the surface to comprise the bayeritic polymorph of aluminium hydroxide. The temperature and pH-dependency of the formation of the hydroxide were studied. The role of phenylphosphate in the suppression of hydration was discussed. Near-IR excitation was shown to produce anomalous luminescence from a series of calcium silicate cement minerals. Investigations using near-IR diffuse reflectance suggested a connection with the presence of metal ions impurities (especially manganese) and calcium hydroxide. Calcium oxide and hydroxide were shown to display similar anomalous behaviour. The application of conventional Raman spectroscopy in this area was appraised as an alternative, and shown to be successful. A method for obtaining rotational and vibrational spectra of gases on a commercial FT-Raman spectrometer using multiple-reflection cells was designed, developed, and appraised. The technique was then applied to a previously-intractable system (NO2/N2O4) to record the first vapour-phase spectrum of the dimer. In addition, the data suggests that the NO minority species scattering may be strongly-enhanced, and that NO? may be unenhanced at this wavelength.
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9

Spencer, Locke Dean, and University of Lethbridge Faculty of Arts and Science. "Imaging Fourier transform spectroscopy from a space based platform : the Herschel/SPIRE Fourier transform spectrometer." Thesis, Lethbridge, Alta. : University of Lethbridge, Dept. of Physics and Astronomy, 2009. http://hdl.handle.net/10133/1303.

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The Herschel Space Observatory (Herschel), a flagship mission of the European Space Agency (ESA), is comprised of three cryogenically cooled instruments commissioned to explore the far-infrared/submillimetre universe. Herschel's remote orbit at the second Lagrangian point (L2) of the Sun-Earth system, and its cryogenic payload, impose a need for thorough instrument characterization and rigorous testing as there will be no possibility for any servicing after launch. The Spectral and Photometric Imaging Receiver (SPIRE) is one of the instrument payloads aboard Herschel and consists of a three band imaging photometer and a two band imaging spectrometer. The imaging spectrometer on SPIRE consists of a Mach-Zehnder (MZ)-Fourier transform spectrometer (FTS) coupled with bolometric detector arrays to form an imaging FTS (IFTS). This thesis presents experiments conducted to verify the performance of an IFTS system from a space based platform, i.e. the use of the SPIRE IFTS within the Herschel space observatory. Prior to launch, the SPIRE instrument has undergone a series of performance verification tests conducted at the Rutherford Appleton Laboratory (RAL) near Oxford, UK. Canada is involved in the SPIRE project through provision of instrument development hardware and software, mission flight software, and support personnel. Through this thesis project I have been stationed at RAL for a period spanning fifteen months to participate in the development, performance verification, and characterization of both the SPIRE FTS and photometer instruments. This thesis discusses Fourier transform spectroscopy and related FTS data process ing (Chapter 2). Detailed discussions are included on the spectral phase related to the FTS beamsplitter (Chapter 3), the imaging aspects of the SPIRE IFTS instrument (Chapter 4), and the noise characteristics of the SPIRE bolometer detector arrays as measured using the SPIRE IFTS (Chapter 5). This thesis presents results from experiments performed both on site at the RAL Space Science and Technology Department (SSTD) Assembly Integration Verification (AIV) instrument test facility as well as from the Astronomical Instrumentation Group (AIG) research laboratories within the Department of Physics & Astronomy at the University of Lethbridge.
xxiii, 243 leaves : ill. (some col.) ; 29 cm
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10

Predoi-Cross, Adriana. "Infrared Fourier transform spectroscopy of C-13 methanol." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk3/ftp04/nq23873.pdf.

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11

Gatehouse, Bethany. "Fourier transform microwave spectroscopy of halogenated triatomic molecules." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk3/ftp04/nq25052.pdf.

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12

Torabi, Keivan. "Fourier transform infrared spectroscopy in size exclusion chromatography." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1999. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape7/PQDD_0002/MQ45901.pdf.

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13

Tahić, Margaret Katharine, and University of Lethbridge Faculty of Arts and Science. "Fourier transform spectroscopy of the Orion molecular cloud." Thesis, Lethbridge, Alta. : University of Lethbridge, Faculty of Arts and Science, 2004, 2004. http://hdl.handle.net/10133/289.

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The Orion Molecular Cloud (OMC) is the nearest, and thus most studied, star forming region to the Earth. To date, most of the studies conducted at submillimetre wavelenths have focused on the spectral line analysis using high resolution heterodyne recievers. However, the role of dust, which is known to be important in the evolution of the interstellar medium, can only be studied through its continuum emission. This thesis presents the first results obtained using a Fourier Transform Spectrometer (FTS) at the James Clerk Maxwell Telescope to study, simultaneously, the continuum and line components of emission on the OMC.
xiii, 139 leaves : ill. (some col.) ; 29 cm.
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14

Semeniuk, Jaroslaw Ivan. "Ultra violet Fourier transform spectroscopy of transition elements." Thesis, Imperial College London, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.321659.

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15

Liu, Ruiting. "Signal processing improvements to fourier transform infrared spectroscopy." Thesis, University of East Anglia, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.435084.

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16

Jones, Catherine Helen. "Fourier transform Raman spectroscopy of some polymeric materials." Thesis, University of Southampton, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.358428.

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17

Dumitrescu, Oana Roxana. "Simultaneous differential scanning calorimetry : Fourier Transform infrared spectroscopy." Thesis, Cranfield University, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.421231.

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18

Dewberry, Christopher Thomas. "Advancements in Instrumentation for Fourier Transform Microwave Spectroscopy." Thesis, University of North Texas, 2011. https://digital.library.unt.edu/ark:/67531/metadc84308/.

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The efforts of my research have led to the successful construction of several instruments that have helped expand the field of microwave spectroscopy. The classic Balle-Flygare spectrometer has been modified to include two different sets of antenna to operate in the frequency ranges 6-18 GHz and 18-26 GHz, allowing it to function for a large range without having to break vacuum. This modified FTMW instrument houses two low noise amplifiers in the vacuum chamber to allow for the LNAs to be as close to the antenna as physically possible, improving sensitivity. A new innovative Balle-Flygare type spectrometer, the efficient low frequency FTMW, was conceived and built to operate at frequencies as low as 500 MHz through the use of highly curved mirrors. This is new for FTMW techniques that normally operate at 4 GHz or higher with only a few exceptions around 2 GHz. The chirped pulse FTMW spectrometer uses horn antennas to observe spectra that span 2 GHz versus the standard 1 MHz of a cavity technique. This instrument decreases the amount of time to obtain a large spectral region of relative correct intensity molecular transitions. A Nd:YAG laser ablation apparatus was attached to the classic Balle-Flygare and chirped pulse FTMW spectrometers. This allowed the study of heavy metal containing compounds. The instruments I constructed and the techniques I used have allowed the discovery of further insights into molecular chemistry. I have seen the effects of fluorinating an alkyl halide by determining the geometry of the carbon backbone of trans-1-iodoperfluoropropane and observing a ΔJ = 3 forbidden transition caused by a strong quadrupole coupling constant on this heavy molecule. The quadrupole coupling tensors of butyronitrile, a molecule observed in space, have been improved. The nuclear quadrupole coupling tensor of difluoroiodomethane was added to a list of variably fluorinated methyl halides upholding a trend for the magnitude of χzz. The study of SrS led to the determination of the Born-Oppenheimer breakdown terms and improving the precision of the SrS internuclear distance. I have also conducted the first pure rotational spectroscopic investigation on an actinide containing molecule, ThO.
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19

Meier, Joseph E. "Novel data reduction methods in Fourier transform spectroscopy /." The Ohio State University, 1989. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487675687172857.

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20

Zhang, Tianhao. "Optical two-dimensional Fourier transform spectroscopy of semiconductors." Connect to online resource, 2008. http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:3315815.

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21

O'Brien, Leah Christine. "Laser and Fourier transform spectroscopy of gas phase molecules." Diss., The University of Arizona, 1987. http://hdl.handle.net/10150/184305.

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Laser and Fourier transform spectroscopy were used to study a variety of gas phase molecules. A series of calcium and strontium monoalkoxides, CaOR and SrOR [R=H, CH₃, CH₂CH₃, CH(CH₃)₂, CH₂CH₂CH₃, CH₂(CH₂)₂CH₃, CH₂(CH₃)CH₂CH₃ and C(CH₃)₃] was studied by laser induced fluorescence and laser excitation techniques. The A - X and B - X electronic transitions were recorded. Calcium and strontium monocyclopentadienide, CaCp and SrCp, were produced in a Broida oven and the spectra were recorded at low resolution by laser techniques. The geometry of these molecules is like an "open-faced sandwich", with C₅ᵥ symmetry. The A²Π - X²Σ⁺ and B²Σ⁺ - X²Σ⁺ transitions of calcium and strontium monoisocyanate, CaNCO and SrNCO, were recorded for the first time. The spectra are interpreted as arising from a molecule with linear, ionic Sr⁺ - ⁻NCO structure. The 0-0 band of the A - X transition of SrNCO was recorded at high resolution and rotationally analyzed. The use of a 0.64 m monochromator, acting as a narrow bandpass filter, was necessary for recording the spectra and enabled the correct assignment of the rotational lines. By comparing the molecular constants of SrNCO with related molecules, the NCO⁻ ligand was found to be nitrogen bonding to the strontium atom. The Sr-N bond length was estimated to be 2.26 A in the ground state. The rotational analysis of the 0-0 band of the A²E₁/₂ - X²A₁ transition of the SrOCH₃ free radical has been carried out by laser excitation spectroscopy. The SrOCH₃ molecule was found to have C₃ᵥ symmetry with a Sr-O bond length of 2.12 A. There was no evidence of a Jahn-Teller effect in the A²E state. This work is the first high-resolution analysis of a metal alkoxide molecule. The rotationally cool (30 K) spectrum of the 0-0 vibrational band of the A²Δ - X²Π electronic transition for the diatomic free radical CCl was recorded using a Fourier transform spectrometer. The first rotational lines of the six strongest branches were observed, and transitions in three other branches were also detected. The CCl radical was produced in a corona-excited supersonic expansion source.
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22

Memon, Khalida Perveen. "Solid fat index determination by Fourier transform (FTIR) spectroscopy." Thesis, McGill University, 1996. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=24028.

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This work describes an investigation of the development of a Fourier Transform Infrared (FTIR) spectroscopic method for the determination of Solid Fat Index (SFI) of fats as a possible replacement of the traditional dilatometric procedure. The initial approach considered was the use of an existing FTIR analytical package which was designed to measure iodine value (IV), saponification number (SN), and cis and trans content. It was hypothesized that these measures could be related to SFI using multiple linear regression (MLR), thereby allowing the existing analytical package to simultaneously make SFI measures. It was found that there was a strong relationship between SN/cis/trans measurements and SFI, especially in sequentially hydrogenated oils. The MLR relationships, however, did not reproduce the dilatometric SFI values with sufficient accuracy in the general case, and this approach had to be abandoned. Subsequently, a partial least squares (PLS) calibration approach was investigated, relating the dilatometric SFI data directly to the spectral characteristics of the melted fats. It was found that suitable PLS calibrations could be developed for soybean and Canola oils. Based on these results, an FTIR system was programmed to determine SFI and the performance of the system validated using pre-analyzed "unknowns". It was shown that the SFI of either soybean or Canola oils could be determined to within $ pm$ 1.0 SFI. As configured, the FTIR system is capable of determining the SFI of a neat and clear, melted fat sample at 80$ sp circ$C in less than two minutes, providing four SFI values, representing the solids content at 50, 70, 80 and 92$ sp circ$F. In contrast to the standard dilatometric method, which takes over two hours to carry out, the FTIR approach provides a rapid means of determining SFI, the technique being suitable for routine quality control applications in the fats and oils industry.
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23

Burton, Michael Richard. "Remote sensing of the atmosphere using Fourier transform spectroscopy." Thesis, University of Cambridge, 1999. https://www.repository.cam.ac.uk/handle/1810/284055.

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Remote sensing of the atmosphere using a Fourier transform infrared spectrometer with the sun as a source of radiation allows the measurement of vertical column amounts of trace species in the atmosphere. This technique has been applied during the winters of 1994/95 and 1995/96 from a mid-latitude site at Rutherford Appleton Laboratory (RAL), Chilton, Oxon and results from this research are discussed in this thesis. An overview of the theory of infrared spectroscopy is presented followed by a description of the spectrometer used to record the measurements. A 'forward model' that has been developed to analyse the measurements and the retrieval technique for reducing the measurements to vertical column amounts of HF, HNO3, HCI and C1ONO2 is discussed. Variations in vertical column amounts of mid-latitude HF measured during the 1994/95 winter can be understood as a results of variations in tropopause height and movement of air from higher and lower latitudes over the measuring site. Columns of HC1 and C1ONO2 indicate that chemically processed air with a depleted HC1 column and enhanced C1ONO2 column were measured on the 23rd January 1995, associated with the polar vortex which meteorological analyses indicate was above RAL on this day. Similar measurements performed by a group from the National Physical Laboratory (NPL) from Aberdeen show depletions of both HC1 and C1ONO2, indicating that there is a strong latitudinal gradient in the C1ONO2 column at the edge of the polar vortex. Comparisons with a three-dimensional off-line chemical transport model (CTM) show that dynamical variability in the mid-latitude stratosphere is well represented, but that chlorine partitioning and the effect of seasonal timescale diabatic descent at high latitudes are less accurately calculated.
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24

Sarvis, Harry Elliott. "Physical studies of thiophospholipids using Fourier transform infared spectroscopy /." The Ohio State University, 1990. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487681788251472.

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25

Khodabakhsh, Amir. "Fourier transform and Vernier spectroscopy using optical frequency combs." Doctoral thesis, Umeå universitet, Institutionen för fysik, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-134439.

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Optical frequency comb spectroscopy (OFCS) combines two previously exclusive features, i.e., wide optical bandwidth and high spectral resolution, enabling precise measurements of entire molecular bands and simultaneous monitoring of multiple gas species in a short measurement time. Moreover, the equidistant mode structure of frequency combs enables efficient coupling of the comb power to enhancement resonant cavities, yielding high detection sensitivities. Different broadband detection methods have been developed to exploit the full potential of frequency combs in spectroscopy, based either on Fourier transform spectroscopy or on dispersive elements.There have been two main aims of the research presented in this thesis. The first has been to improve the performance of mechanical Fourier transform spectrometers (FTS) based on frequency combs in terms of sensitivity, resolution and spectral coverage. In pursuit of this aim, we have developed a new spectroscopic technique, so-called noise-immune cavity-enhanced optical frequency comb spectroscopy (NICE-OFCS), and achieved a shot-noise-limited sensitivity and low ppb (parts-per-billion, 10−9) CO2 concentration detection limit in the near-infrared range using commercially available components. We have also realized a novel method for acquisition and analysis of comb-based FTS spectra, a so-called sub-nominal resolution method, which provides ultra-high spectral resolution and frequency accuracy (both in kHz range, limited only by the stability of the comb) over the broadband spectral range of the frequency comb. Finally, we have developed an optical parametric oscillator generating a frequency comb in the mid-infrared range, where the strongest ro-vibrational molecular absorption lines reside. Using this mid-infrared comb and an FTS, we have demonstrated, for the first time, comb spectroscopy above 5 μm, measured broadband spectra of several species and reached low ppb detection limits for CH4, NO and CO in 1 s.The second aim has been more application-oriented, focused on frequency comb spectroscopy in combustion environments and under atmospheric conditions for fast and sensitive multispecies detection. We have demonstrated, for the first time, cavity-enhanced optical frequency comb spectroscopy in a flame, detected broadband high temperature H2O and OH spectra using the FTS in the near-infrared range and showed the potential of the technique for flame thermometry. For applications demanding a short measurement time and high sensitivity under atmospheric pressure conditions, we have implemented continuous-filtering Vernier spectroscopy, a dispersion-based spectroscopic technique, for the first time in the mid-infrared range. The spectrometer was sensitive, fast, robust, and capable of multispecies detection with 2 ppb detection limit for CH4 in 25 ms.
Optisk frekvenskamspektroskopi (OFCS) kombinerar två tidigare icke förenliga egenskaper, dvs. ett brett optiskt frekvensområde med en hög spektral upplösning, vilket möjliggör noggranna mätningar av hela molekylära absorptionsband och detektion av flera gaser samtidigt med en kort mättid. Eftersom frekvenskammar har en regelbunden struktur med jämnt separerade laser moder kan man effektivt koppla kammen till en optisk kavitet och därmed möjliggöra frekvenskamsdetektion med hög känslighet. Olika metoder har utvecklats för att utnyttja frekvenskammarnas fulla potential för spektroskopi, baserad på antingen Fouriertransform-spektroskopi eller dispersiva element.Forskningen som presenteras i denna avhandling har haft två huvudmål. Det första har varit att förbättra prestandan hos mekaniska Fourier-transformspektrometrar (FTS) baserat på frekvenskammar med avseende på känslighet, upplösning och spektral täckning. I strävan efter detta har vi utvecklat en ny spektroskopisk teknik, benämnd brusimmun kavitetsförstärkt optisk frekvenskamspektroskopi (NICE-OFCS), och uppnått en hagelbrusbegränsad känslighet och detektionsgränser ner till låga ppb koncentrationer (miljarddelar, 10−9) för CO2 i det när-infraröda frekvensområdet enbart med användning av kommersiellt tillgängliga komponenter. Vi har också utvecklat en ny metod för insamling och analys av kambaserade FTS-spektra, som betecknas ha sub-nominell upplösning. Metoden gör det möjligt att uppnå ultrahög spektral upplösning och hög frekvensnoggrannhet (båda i kHz-området, endast begränsad av kammens stabilitet) över kammens hela frekvensområde. Slutligen har vi utvecklat en optisk parametrisk oscillator som genererar en frekvenskam i det mid-infraröda frekvensområdet, där de starkaste rotations-vibrationsmolekylära absorptionslinjerna finns. Med hjälp av denna kam och en FTS har vi för första gången demonstrerat frekvenskamspektroskopi över 5 μm. Vi har detekterat bredbandsspektra av flera molekylära gaser och har, för mättider på 1 s, uppnått detektionsgränser ner till låga ppb halter för CH4, NO och CO.Det andra syftet har varit mer applikationsorienterat: att använda frekvenskamspektroskopi i förbränningsmiljö och under atmosfäriska förhållanden för snabb och känslig multiämnesdetektion. Vi har för första gången demonstrerat kavitetsförstärkt optisk frekvenskamspektroskopi i en flamma, där vi har detekterat högtemperaturspektra av H2O och OH i det när-infraröda området med användning av FTS och visat teknikens potential för termometrisk karakterisering av flammor. För applikationer som kräver en kort mättid och hög känslighet under atmosfäriska förhållanden har vi utvecklat ett detektionssystem baserat på Vernier-spektroskopi med kontinuerlig filtrering, vilket är en dispersionsbaserad teknik, för första gången i det mid-infraröda frekvensområdet. Det befanns att spektrometern var känslig, snabb, robust och kapabel till multiämnesdetektion med en detektionsgräns på 2 ppb för CH4 för korta mättider (25 ms).
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26

Sun, Ming. "Fourier Transform Microwave Spectroscopy of Metal-Containing Transient Molecules." Diss., The University of Arizona, 2010. http://hdl.handle.net/10150/194897.

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Simple organometallic molecules, especially those with a single ligand, are the desired model systems to investigate the metal-ligand interactions. For such a molecule, a quantitative relationship between the geometry and the electronic configuration would be instructive to test the existing theories and to access more complicated systems as well. As a matter of fact, microwave spectroscopy could be the best approach to address this issue by measuring the pure rotational spectrum of a metal-containing molecule. By doing so, microwave spectroscopy can provide the most reliable bond lengths and bond angles for the molecule based on the rotational constants of a set of isotopologues. On the other hand, from the fine-structure and hyperfine-structure of the spectrum, microwave spectroscopy can also describe the electronic manifold, charge distribution and bonding nature of the molecule in a quantitative way.Fourier transform microwave spectrometers have been the most popular equipment to measure the pure rotational spectrum for three decades owing to the high resolution and super sensitivity. With the advances in digital electronics and the molecular production techniques, hyperfine structures of metal-containing molecules can be easily resolved even for the rare isotopologues in their nature abundance by this type of spectrometers.In this dissertation, molecules bearing metals in a wide range covering both the main group and transition metals were studied. By taking advantage of both the traditional and newly developed molecular production techniques in the gas phase (for example, metal pin-electrodes and discharged assisted laser ablation spectroscopy), we obtained spectra of molecules containing magnesium, aluminum, arsenic, copper and zinc. Our subjects include metal acetylides (MgCCH, AlCCH and CuCCH), metal dicarbides (CCAs), metal cyanides (CuCN, ZnCN) as well as other metal mono-ligand molecules. For the zinc metal, complexes with two simple ligands were also investigated, such as HZnCl and HZnCN. We strongly believe that researchers in different disciplines would benefit from our laboratory studies: theoretical chemists can use our experimental results for calibration; astrophysicists would interpret their telescope observations by matching our precisely measured frequencies; material scientists could find new functional materials by linking the bulky properties of certain materials with our spectroscopic results of the monomers.
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Asker, Nazaneen. "Determination of petroleum properties by Fourier transform infrared spectroscopy." Thesis, Queensland University of Technology, 1991. https://eprints.qut.edu.au/35969/1/35969_Asker_1991.pdf.

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A rapid FTIR method for the determination of Research Octane Number (RON), Motor Octane Number (MON), Flexible Volatility Index (FVI), density, Paraffin, Naphthene and Aromatic (PNA) contents of some of the major blending components of Australian refined motor gasoline and motor gasoline is described. A chemometric method for the selection of suitable conditions for analysis is outlined. Results of predictions using calibration sets based on ASTM fuel blends are presented. Examples of principal component analysis for the classification of samples on the basis of the geographical origins of the parent crude oils and on the basis of other properties are given. Results of predictions using calibration sets are compared with the standard methods commonly in use. The described methods form a basis for practical application and they are possible alternatives to the standard test methods.
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Hsieh, Chaoray. "Ultra-compact holographic spectrometers for diffuse source spectroscopy." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/22533.

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Thesis (Ph. D.)--Electrical and Computer Engineering, Georgia Institute of Technology, 2008.
Committee Chair: Adibi, Ali; Committee Member: Chang, Gee-Kung; Committee Member: Ralph, Stephen; Committee Member: Trebino, Rick; Committee Member: Verriest, Erik I.
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Lee, K. S. "New techniques for sensitivity improvement in Fourier transform N.M.R." Thesis, University of Manchester, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.383232.

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Li, Zhenghong. "The role of the counter rotating terms in spontaneous emission and the time evolution of lamb shift." HKBU Institutional Repository, 2012. https://repository.hkbu.edu.hk/etd_ra/1419.

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Li, Jianping. "High-resolution UV-Vis-NIR fourier transform imaging spectroscopy and its applications in biology and chemistry." HKBU Institutional Repository, 2010. http://repository.hkbu.edu.hk/etd_ra/1151.

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Fernando, Thilak Mazenod Linus. "Laser spectroscopy of metal-containing molecules and Fourier transform spectroscopy of small molecules." Diss., The University of Arizona, 1990. http://hdl.handle.net/10150/185246.

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Metal containing molecules were studied in the gas phase. These compounds were synthesized in a Broida-type oven by the high temperature reaction between metal atoms and appropriate oxidants. The laser-induced fluorescence technique was employed to detect the products from these reactions. These inorganic molecules, consisting of a metal atom bonded to a single ligand, are ionic and can be represented by the structure M⁺L⁻(M = Ca, Sr, Ba and Cu). The BaOH and BaOD molecules were studied at low resolution. The band origins were found and the vibrational assignments were carried out for the òΠ-X²Σ⁺ transition, which has been previously seen. The nominally forbidden Ã' ²Δ-X² Σ⁺ transition was observed for the first time for alkaline earth polyatomics. Three electronic transitions were detected for the metal monohydrosulphides and metal monothiolates. The spectra are consistent with a bent Ca-S-R structure. Some Ca-S and Sr-S stretching frequencies were determined from the spectra. The B¹A"-X¹A' transition of CuOD molecule was rotationally analyzed at high resolution using the filtered laser excitation technique. Rotational lines up to K', K" = 7 sub bands have been measured. Molecular constants were obtained for the ground and excited states by fitting these lines to a asymmetric rotor Hamiltonian. These constants will be helpful for assigning the red systems of CuOH and CuOD. The emission spectra of boron containing compounds, BC, BH and BD, were recorded using a high resolution Fourier transform spectrometer. These compounds were made in a B₄C/Cu composite-wall hollow cathode lamp. The B⁴Σ⁻-X⁴Σ⁻ transition of BC was observed near 17900 cm⁻¹. The ground state internuclear separation was found to be 1.488A. The rotational constants for different vibrational levels were obtained from fitting the rotational lines. The A¹Π-X¹Σ transition was analyzed for BH and BD in order to find accurate rotational line positions and precise molecular constants. The rotational lines of BH were fit to a Dunham-type expression and equilibrium molecular constants were obtained. The vibrational levels of the A¹Π state are very anharmonic. During the course of the study of BD, the A¹Σ⁺-X¹Σ⁺ transition of CuD was also observed. This spectrum contained rotational lines from both ⁶³CuD and ⁶⁵CuD isotopomers and improved molecular constants were obtained by the analysis of the data.
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Garip, Sebnem. "The Characterization Of Bacteria With Fourier Transform Infrared(ftir) Spectroscopy." Master's thesis, METU, 2005. http://etd.lib.metu.edu.tr/upload/12606673/index.pdf.

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New and rapid techniques for the characterization and identification of bacteria would have an important role in clinical microbiology and in food analysis because of an increasing prevalence of infectious diseases and In this work we carried out two approaches. In the first study the characterization and differentiation of mesophilic and thermophilic bacteria were investigated by using Fourier Transform Infrared (FTIR) Spectroscopic technique. In the second study, we investigated the characterization and identification of 3 Bacillus and Micrococcus species Our results from first approach show that there was a dramatic difference between mesophilic and thermophilic bacteria. The protein concentration was high, lipid concentration, the level of triglycerides and the unsaturated acyl chains decreased in thermophilic bacteria. We found that in thermophilic bacteria PO- 2 groups become hydrogen bounded. In addition, our results suggest that the cellular DNA content was low in thermophilic bacteria. Moreover there were characteristic peaks for both mesophilic and thermophilic bacteria and these peaks can be used for the differentiation of these two bacteria group. There were also some specific peaks that can be used for the differentiation of Escherichia coli and Lactobacillus plantarum at species level. In the second approach, our results show that there were significant spectral differences between Bacillus and Micrococcus species such as the proportion of unsaturated acyl chains in triglycerides were higher in Micrococcus species. Moreover we observed different bands that may be explained by an acetate oxidation via the tricarboxylic acid cycle and an exopolymer formation in Micrococcus species. In addition to that another band similar to glycogen, may be explained by a glycogen-like storage material in Micrococcus species. Also there are characteristic peaks that can be used for identification of Micrococcus spp.
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Zhao, Jianming 1972. "Classification and identification of yeasts by Fourier transform infrared spectroscopy." Thesis, McGill University, 2000. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=31564.

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Infrared spectra of microbial cells are highly specific, fingerprint-like signatures which can be used to differentiate microbial species and strains from each other. In this study, the potential applicability of Fourier transform infrared (FTIR) spectroscopy for the classification of yeast strains in terms of their biological taxonomy, their use in the production of wine, beer, and bread, and their sensitivity to killer yeast strains was investigated. Sample preparation, spectral data preprocessing methods and spectral classification techniques were also investigated. All yeast strains were grown on a single growth medium. The FTIR spectra were baseline corrected and the second derivative spectra were computed and employed in spectral analysis. The classification accuracy was improved when the principal component spectra (calculated from the second derivative spectra) were employed rather than the second derivative spectra or raw spectra alone. Artificial neural network (ANN) with 10 units in the input layer and 12 units in the hidden layer produced a robust prediction model for the identification of yeasts. Cluster analysis was employed for the classification of yeast strains in terms of their use in the production of wine, beer, and bread and in terms of their sensitivity to killer yeast strains. The optimum region for the classification in the former case was found to be between 1300 and 800 cm-1 in the infrared spectrum whereas the optimum region for the classification of yeast strains in terms of their sensitivity was between 900 and 800 cm-1 . The results of this work demonstrated that FTIR spectroscopy could be successfully employed for the classification and identification of yeast strains with minimal sample preparation.
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Li, Hui 1970. "Analysis of edible oils by Fourier transform near-infrared spectroscopy." Thesis, McGill University, 2000. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=36819.

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Fourier transform near-infrared (FT-NIR) spectroscopy was investigated as a means of quantitative analysis of edible fats and oils. Initially, a method of simultaneously determining the cis and trans content, iodine value and saponification number of neat fats and oils using a heated transmission flow cell was developed. Two partial least squares (PLS) calibrations were devised, a process-specific calibration based on hydrogenated soybean oil and a more generalized calibration based on many oil types, the latter able to analyze oils from a variety of sources accurately and reproducibly. Methodology for the quantitative determination of the peroxide value (PV) of edible oils using a novel glass-vial sample handling system was subsequently developed, based on the stoichiometric reaction of triphenylphosphine with hydroperoxides to form triphenylphosphine oxide. The PV calibration was derived using PLS regression, and the results of a validation study demonstrated that PV could be quantitated accurately if a normalization routine was used to compensate for the inherent dimensional variability of the vials. The vial sample handling system was then used in the development of PLS IV calibrations for the process analysis of commercial oil samples, and these samples were also used to evaluate a global IV calibration devised by Bomem Inc. The discriminant features available through PLS were shown to enhance the accuracy of the IV predictions by facilitating the selection of the most appropriate calibrations based on the spectral characteristics of closely related oils. The predictions obtained using the global IV calibration provided clear evidence that a generalized calibration based on a large and varied selection of oils could provide a means of IV determination by FT-NIR spectroscopy. Subsequently, a generalized FT-NIR trans calibration was developed and shown to yield trans values that were in good agreement with those obtained by the AOCS mid-FTIR single-bounce hori
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Kadiwar, Gautam. "Chirped-Pulse Fourier Transform Microwave Spectroscopy of Fluoroiodoacetonitrile and Chloropentafluoroacetone." Thesis, University of North Texas, 2010. https://digital.library.unt.edu/ark:/67531/metadc84230/.

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This work focuses on finding the complete iodine and nitrogen nuclear electric quadrupole coupling tensors for fluoroiodoacetonitrile using chirped-pulse Fourier transform microwave spectroscopy. Fluoroiodoacetonitrile contains two hyperfine nuclei, iodine (I=5/2) and nitrogen (I=1) and the spectra were observed with great resolution. A total of 499 transitions were observed for this molecule. The a, b and c rotational constants were obtained. A study of chloropentafluoroacetone was also done using chirped-pulse Fourier transform microwave spectroscopy. The two chlorine isotopes for this molecule, Cl-35 and Cl-37 were observed and 326 and 170 transitions were recorded, respectively.
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Hughes, Caryn Sian. "Development of Fourier transform infrared spectroscopy for drug response analysis." Thesis, University of Manchester, 2011. https://www.research.manchester.ac.uk/portal/en/theses/development-of-fourier-transform-infrared-spectroscopy-for-drug-response-analysis(e03ec73c-e9c4-4515-9f06-a549544a8ab9).html.

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The feasibility of FTIR-based spectroscopy as a tool to measure cellular response to therapeutics was investigated. Fourier transform mid-infrared spectroscopy has been used in conjunction with multivariate analysis (MVA) to assess the chemistry of many clinically relevant biological materials; however, the technique has not yet found its place in a clinical setting. One issue that has held the technique back is due to the spectral distortions caused by resonant Mie scattering (RMieS), which affects the ability to confidently assign molecular assignments to the spectral signals from biomaterials. In the light of recently improved understanding of RMieS, resulting in a novel correction algorithm, the analytical robustness of corrected FTIR spectra was validated against multi-discipline methods to characterise a set of renal cell lines which were selected for their difference in morphology.After validation of the FTIR methodology by discriminating different cell lines, the second stage of analyses tested the sensitivity of FTIR technique by determining if discrete chemical differences could be highlighted within a cell population of the same origin. The renal carcinoma cell line 2245R contains a sub-population to contain a sub-population of cells displaying 'stem-cell like' properties. These stem-like cells, however, are difficult to isolate and characterise by conventional '-omic' means. Finally, cellular response to chemotherapeutics was investigated using the established renal cell lines CAKI-2 and A-498. For the model, 5-fluorouracil (5FU), an established chemotherapeutic agent with known mechanisms of action was used. Novel gold-based therapeutic compounds were also assessed in parallel to determine their efficacy against renal cell carcinoma. The novel compounds displayed initial activity, as the FTIR evidence suggested compounds were able to enter the cells in the first instance, evoking a cellular response. The long-term performance, tracked with standard proliferation assays and FTIR spectroscopy in the renal cancer cell model, however, was poor. Rather than dismissing the compounds as in-active, the compounds may simply be more effective in cancer cell types of a different nature. The FTIR-based evidence provided the means to suggest such a conclusion. Overall, the initial results suggest that the combination of FTIR and MVA, in the presence of the novel RMieS-EMSC algorithm can detect differences in cellular response to chemotherapeutics. The results were also in-line with complimentary biological-based techniques, demonstrating the powerful potential of the technique as a promising drug screening tool.
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Deleporte, Thomas. "Quantitative infrared Fourier transform spectroscopy: absolute intensities for 13CO2 and HOBr." Doctoral thesis, Universite Libre de Bruxelles, 2008. http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/210398.

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This thesis falls within the field of high resolution Fourier transform spectroscopy of gas phase molecules in the far to near infrared ranges. It is focused on quantitative aspects of gas phase spectroscopy: absolute line intensity measurements. Both stable and unstable molecules, of atmospheric interest, are investigated. With this work, we aim to provide the reference spectroscopic information needed to analyze spectra of planetary atmospheres and improve our understanding of the physical chemistry of these environments.

We studied two molecules of atmospheric interest: the 13C16O2 isotopologue of carbon dioxide, which is a stable molecule, and the H16O79Br and H16O81Br isotopologues of hypobromous acid

which are short-lived unstable molecules.

The work carried out in the 2 and 1.6 µm regions of 13C16O2 falls in the framework of highly

precise remote sensing of carbon dioxide in the Earth’s atmosphere, needing more and more accurate

reference spectroscopic information. We measured 872 absolute line intensities corresponding

to 317 different lines in seven vibration-rotation bands of 13C16O2. These measurements, together with measurements performed in the Laboratoire de Spectrométrie Physique (Université Joseph Fourier, Grenoble, France) led to the improvement of the theoretical description of the spectrum of carbon dioxide, performed in the Laboratory of Theoretical Spectroscopy, (Institute of Atmospheric Optics, Tomsk, Russia). This study is preceeded by a preliminary work on the main isotopologue of carbon dioxide, 12C16O2 in the same spectral regions, aimed to determine the best suited line profile to model the observed line shapes of 13C16O2.

HOBr exists only in equilibrium with its decomposition products, like Br2O and H2O. Quantitative spectroscopy on such an unstable molecule therefore implied the use of a specific method to determine the concentration of HOBr in the studied gas sample. Simultaneously, Tunable Diode Laser (TDL) infrared spectra of some lines of the nu2 band and a far infrared Fourier transform spectrum of pure rotation lines of HOBr were recorded. The measured intensities of pure rotation lines together with the permanent electric dipole moment of the molecule were used to determine the partial pressure of HOBr, thus allowing absolute intensities of the lines probed by the TDL to be determined. These infrared absolute line intensities were then used to “calibrate” the relative line intensities in the nu2 band, measured in a Fourier transform spectrum recorded separately.

Cette thèse s’inscrit dans le cadre de la spectroscopie è haute résolution de molécules en phase gazeuse dans l’infrarouge proche à lointain. Ce travail se concentre sur les aspects quantitatifs de la spectroscopie en phase gazeuse: la mesure d’intensités absolues. Des molécules d’interêt atmosphérique stables et instables ont été étudiées. Le but de ce travail est de fournir des informations spectroscopiques de référence utiles à l’analyse de spectres d’atmosphères planétaires et, ainsi, améliorer notre compréhension de la physico-chimie de ces environnements.

Nous avons étudié deux molécules d’interêt atmosphérique: l’isotopologue 13C16O2 du dioxyde

de carbone, qui est une molécule stable, et les isotopologues H16O79Br et H16O81Br de l’acide hypobromeux qui sont des molécules instables.

Le travail effectué sur les régions spectrales à 2 et 1.6 µm de 13C16O2 s’inscrit dans le cadre

des mesures à distance à très haute précision du dioxyde de carbone présent dans l’atmosphère terrestre. Nous avons mesuré 872 intensités absolues correspondant à 317 raies d’absorption dans sept bandes de vibration-rotation de 13C16O2. Ces mesures, ainsi que celles réalisées au Laboratoire de Spectrométrie Physique (Université Joseph Fourier, Grenoble, France) ont abouti à l’amélioration de la description théorique du spectre du dioxyde de carbone, réalisée au Laboratory of Theoretical

Spectroscopy (Institute of Atmospheric Optics, Tomsk, Russie). Cette étude est précédée par un

travail préliminaire sur l’isotopologue principal du dioxyde de carbone, 12C16O2 dans les mêmes

régions spectrales, visant à déterminer le profil de raie le plus adapté pour modéliser les profils

observés de 13C16O2.

HOBr existe uniquement en équilibre avec ses produits de décomposition tels que Br2O and H2O.

Effectuer des mesures quantitatives pour ce type de molécule instable implique dès lors l’utilisation d’une technique spécifique afin de déterminer la pression partielle de HOBr. Un spectre infrarouge en Diode Laser Accordable (DLA) de quelques raies de la bande nu2 de HOBr et un spectre infrarouge lointain en transformée de Fourier d’un même échantillon gazeux ont été enregistrés simultanément. Les intensités mesurées de raies de rotation pure combinées au moment dipolaire électrique permanent de la molécule ont été utilisées pour déterminer la pression partielle de HOBr, nous permettant

ainsi de déterminer les intensités absolues des raies mesurées à l’aide de la DLA. Ces intensit´es absolues ont ensuite été utilisées pour “calibrer” les intensités relatives des raies de la bande nu2, mesurées dans un spectre à transformée de Fourier enregistré séparément.
Doctorat en Sciences
info:eu-repo/semantics/nonPublished

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39

Fernandez, Daniel Celestino. "Fourier-transform infrared spectroscopic imaging of prostate histopathology." [Tampa, Fla.] : University of South Florida, 2003. http://purl.fcla.edu/fcla/etd/SFE0000617.

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Serafin, Michal M. "Fourier-transform microwave spectroscopy of cyclopropylmethylgermane and van der Waals complexes of fluorinated methanes /." View online, 2008. http://repository.eiu.edu/theses/docs/32211131400051.pdf.

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Craig, Edward Clayton. "Application of dispersion versus absorption (DISPA) in Fourier transform nuclear magnetic resonance and Fourier transform ion cyclotron mass spectrometry /." The Ohio State University, 1987. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487324944214076.

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42

Gom, Bradley Gustav, and University of Lethbridge Faculty of Arts and Science. "A cryogenic detector for submillimetre astronomy." Thesis, Lethbridge, Alta. : University of Lethbridge, Faculty of Arts and Science, 1999, 1999. http://hdl.handle.net/10133/102.

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Over the last several years, a submillimetre astronomical polarizing Fourier Transform Spectrometer (FTS) has been developed for use at the James Clerk Maxwell Telescope (JCMT) located atop Mauna Kea, Hawaii. A new liquid3 He cooled dual polarization detector system has been carefully designed for use with this FTS to eliminate noise problems encountered with UKT14, the JCMT facility bolometric detector. The objective of this thesis is to evaluate and optimize the performance of the new detector system. The design of the detector system is discussed, and the noise performance of the system is evaluated. The system performance is determined from photmetric, classical B-I, and spectroscopic measurements. Compared to UKT14, the intrinsic bolometer noise is reduced by a factor of - 2. More importantly, the spectral signal to noise ratio is improved by a factor of - 10 due to the elimination of electrical pickup and microphone noise in the detector signal.
xiv, 156 leaves : ill. ; 28 cm.
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43

Appadoo, Dominique R. T. (Dominique Rupert Thierry) 1964. "Spectral simplification techniques for high resolution fourier transform spectroscopic studies." Monash University, School of Chemistry, 2002. http://arrow.monash.edu.au/hdl/1959.1/7746.

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44

Dong, Jun. "Development of Fourier transform infrared, FTIR, spectroscopy for determining oil quality." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk2/tape16/PQDD_0001/MQ29683.pdf.

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Ma, Kangming. "Peroxide value and trans analyses by Fourier transform infrared (FTIR) spectroscopy." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2000. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape2/PQDD_0032/NQ64609.pdf.

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46

Ma, Kangming 1965. "Peroxide value and trans analyses by Fourier transform infrared (FTIR) spectroscopy." Thesis, McGill University, 2000. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=36643.

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New Fourier transform infrared (FTIR) approaches for the quantitative determination of peroxide value (PV) and isolated trans analyses were investigated and developed. The FTIR-PV methods investigated were all based on the stoichiometric reaction of hydroperoxides and triphenylphosphine (TPP) which converts TPP to triphenylphosphine oxide (TPPO). A reference transmission cell (100 mum) method was developed based on the use of a unique TPPO absorption at 542 cm-1. This method covered PV values from 0--15 PV and was shown to be superior in accuracy and reproducibility to the standard American Oil Chemists Society (AOCS) iodometric method. Subsequently, the utility of disposable polyethylene cards, normally used only for qualitative analyses, was investigated for quantitative PV determination. A quantitative IR card method was successfully developed and shown to serve as a very simple, rapid and alternative means of carrying out PV analyses. TPP-impregnated cards were able to reproduce the transmission cell PV results to +/-1.12 PV, while the unimpregnated card was slightly more accurate (+/-0.92 PV). A third FTIR-PV method was developed specifically for the at-line monitoring of high PV fatliquors and employed a germanium attenuated total reflectance sample handling accessory. This method hinged on the use of a TPPO absorption band at 1118 cm-1, normally off scale when pathlengths of >3 mum are used, but is suited to the analysis of oils having very high PVs (>250). The successful quantitative use of the disposable polyethylene IR card to PV led to its study for the quantitative FTIR determination of the isolated trans content of fats and oils and margarines. The polyethylene card was shown to unique and useful properties, tending to inhibit fat crystallization and its inability to retain moisture. These two properties allowed trans determination to be carried out on melted, high trans fats, without heating the polyethylene substrate and also to analyze margarines
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47

Dong, Jun 1971. "Development of Fourier transform infrared (FTIR) spectroscopy for determining oil quality." Thesis, McGill University, 1996. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=27308.

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In this work, a rapid Fourier transform near infrared (FT-NIR) spectroscopic peroxide value (PV) method was developed and a prototype Continuous Oil Analysis and Treatment (COAT) system was assessed for monitoring and analytical purposes. High erucic acid rapeseed oil, a principle representative of triglyceride based oils suitable for biodegradable lubricating applications and mineral oil were used to test the methodology developed.
The FT-NIR PV method is based on a well defined stoichiometric reaction of triphenylphospine (TPP) with hydroperoxides to form triphenylphospine oxide (TPPO). A partial least squares calibration model for the prediction of PV was developed using the NIR spectral region where TPP and TPPO co-absorb. The resulting calibration was highly linear over the analytical range of 100PV. Validation of the method carried out by comparing the PV of PLS prediction to the results of AOCS iodometric procedures indicated an excellent concurrence between the two methods. By programming the FT-NIR spectrometer, the analytical procedure simply consists of the addition of TPP stock solution to oil sample, mixing, taking its spectrum and predicting PV value. Through selected testing procedures, the prototype COAT system utilizing FTIR spectroscopy, advanced sample handling system designs, and computer programming was proved to be effective in monitoring the oil quality and behavior of antioxidants in real time.
Both approaches offer combined advantages of speed, accuracy, low labor cost, automation, and environmental friendliness mainly derived from FTIR spectroscopy, and can serve as convenient means for routine quality control applications in oils and fats industry. Potential application based on the joint usage of the two methods in the obtaining of true value of oil stability was also presented in this text. (Abstract shortened by UMI.)
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48

Hadden, Jonathan Mark. "Protein structure and conformational changes studied by Fourier transform infrared spectroscopy." Thesis, University College London (University of London), 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.565953.

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Fourier transform infrared spectroscopy (FTIR) has been used to study a range of different proteins. These include:- i) Human serum transferrin, human lactoferrin and rabbit serum transferrin. A study has been made of the structural changes that accompany iron binding and release from these related proteins. Structural variations within this group of proteins have been shown. Thermal denaturation studies, using differential scanning calorimetric measurements, have been related to FTIR spectral changes and indicate that the crystal structure of iron-free human lactoferrin may not reflect the structure of this protein in solution. ii) Human placental transferrin receptor. This protein has been examined at extracellular and endosomal pH. Both the intact protein in detergent and its water soluble major extracellular fragment have been investigated. iii) The bacterial adhesive protein streptococcal antigen I/II. The solution structure and thermal stability of the native protein, the recombinant full-length protein and four recombinant fragments of this protein have been examined using both Fourier transfonn infrared spectroscopy and circular dichroism spectroscopy. iv) Albumin, IgG, Ribonuclease, Fibrinogen. A study of the thermal stability of these and other proteins has been undertaken to compare their denaturation properties in H20 and 2H20 solutions. v) Lysozyme, Ribonuclease. These and several other proteins have been examined using Fourier transfonn infrared microscopy in order to compare the infrared spectra of these proteins, both in solution and also in the fonn of single crystals. Many of the proteins show similar spectra, whether recorded in solution or from a single crystal. In some cases, as with single crystals of Endothia parasitica pepsin, Mucor pucillus pepsin and serum amyloid P component, the spectra differ from those recorded in solution. These differences may indicate that a rearrangement of turns structures occurs upon crystallisation. The major novel findings of this work are: i) There are small but significant structural differences between human serum transferrin, rabbit serum transferrin and human lactoferrin. The crystal structure of human lactoferrin may not represent the structure of this protein in solution. The apparent conflict between CD, FTIR and X-ray crystallographic estimates of secondary structural content of the transferrins can be explained by the fact that CD estimates are based on dihedral angles and not hydrogen bonding patterns. ii) Intact transferrin receptor precipitates out of solution at endosomal pH while the extracellular fragment remains soluble but undergoes a confonnational change. This results in minor change in the secondary structural content of the protein and a reduction of thennal stabi lity by approximately 15°C. iii) The recombinant polypeptides produced to study the structure of streptococcal antigen IIII have been shown to fold into defined secondary structures. Furthermore the structures of these fragments have been used to predict a possible structure for the native protein. iv) Quantitative analysis of thermally induced changes in the FTIR spectra of proteins in H20 solution may not offer any significant advantage to analyses performed in 2H20 due to problems associated with the different molar absorption coefficients of the separate secondary structures in H20 solution. v) Infrared spectroscopy/microscopy can be successfully be applied to the study of protein structure in both the solution and crystalline form.
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Wallwork, Andrew Lindsay. "Pulsed-nozzle, Fourier-transform, microwave spectroscopy of weakly hydrogen bonded dimers." Thesis, University of Exeter, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.293048.

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Petty, Christopher J. "The development and applications of near infrared Fourier transform Raman spectroscopy." Thesis, University of Southampton, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.315498.

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