Готові списки джерел за темами / Propanal Spectra

Добірка наукової літератури з теми "Propanal Spectra"

Автор: Grafiati
Опубліковано: 10 грудня 2022
Оновлено: 29 січня 2023

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Статті в журналах з теми "Propanal Spectra"

1

Randell, Jeremy, A. Peter Cox, Kurt W. ii Hillig, Misako Imachi, Marabeth S. LaBarge, and Robert L. Kuczkowski. "Cis and Gauche Propanal: Microwave Spectra and Molecular Structures." Zeitschrift für Naturforschung A 43, no. 3 (March 1, 1988): 271–76. http://dx.doi.org/10.1515/zna-1988-0314.

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Анотація:
The microwave spectra of twelve isotopic species of cis propanal (CH3CH2CHO) and six isotopic forms of the less stable gauche rotamer have been studied to determine accurate structural parameters for both conformers. The following bond lengths (Å) and angles (°) were derived:
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2

Holloway, Thomas T., Billy J. Fairless, Charles E. Freidline, Harry E. Kimball, Robert D. Kloepfer, Charles J. Wurrey, Laleh A. Jonooby, and Harold G. Palmer. "Performance of a Gas Chromatographic-Matrix Isolation-Fourier Transform Infrared Spectrometer." Applied Spectroscopy 42, no. 2 (February 1988): 359–69. http://dx.doi.org/10.1366/0003702884428103.

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The unique matrix-isolated (MI) Fourier transform infrared spectra of diethyl ether, propanal, and trifluoromethane are compared with their vapor-phase spectra. The marked increase in resolution seen in the MI spectra is accompanied by substantial frequency shifts from the peaks in the vapor-phase spectra. The spectra were generated with a gas chromatographic/matrix isolation/Fourier transform infrared spectrometer, with the use of frozen Ar at 13 K as the isolating matrix. The spectra of the 22 isomers of tetrachlorodibenzo- p-dioxin show that each isomer can be distinguished and quantitated at the nanogram level. In addition, preliminary quantitative data were obtained for the pesticides Terbufos® and Fonofos®. Finally, a problem with a previously published spectrum of C-13 2,3,7,8-tetrachlorodibenzo- p-dioxin was uncovered, and it was shown that the spectrum was actually that of C-13 2,3,7-trichlorodibenzo- p-dioxin.
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3

Yarnall, Yuki Y., Perry A. Gerakines, and Reggie L. Hudson. "Propanal, an interstellar aldehyde – first infrared band strengths and other properties of the amorphous and crystalline forms." Monthly Notices of the Royal Astronomical Society 494, no. 4 (April 18, 2020): 4606–15. http://dx.doi.org/10.1093/mnras/staa1028.

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ABSTRACT Chemical evolution in molecular clouds in the interstellar medium is well established, with the identification of over 200 molecules and molecular ions. Among the classes of interstellar organic compounds found are the aldehydes. However, laboratory work on the aldehydes has scarcely kept pace with astronomical discoveries as little quantitative solid-phase infrared (IR) data have been published on any of the aldehydes, and the same is true for important properties such as density, refractive indices, and vapour pressures. In this paper, we examine the IR spectra of solid propanal (HC(O)CH2CH3, propionaldehyde), along with several physical properties, for both the amorphous and crystalline forms of the compound. The quantitative measurements we report, such as IR intensities and optical constants, will be useful in laboratory investigations of the formation and evolution of propanal-containing ices, will serve as benchmark data for theoretical investigations, and will inform observational studies.
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4

Godunov, I. A., V. N. Alekseev, and M. Badavi. "S1?S0 vibronic spectra and the vapor-state molecular structure of propanal and 2-methylpropanal." Journal of Structural Chemistry 34, no. 1 (1993): 17–21. http://dx.doi.org/10.1007/bf00745396.

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5

Smeyers, Y. G., M. Villa, V. H. Uc, and A. Vivier-Bunge. "A Theoretical Study of the Methyl and Aldehyde Torsion FIR Spectra in Symmetric Propanal Isotopomers." Journal of Molecular Spectroscopy 201, no. 1 (May 2000): 62–69. http://dx.doi.org/10.1006/jmsp.2000.8068.

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6

Park, Sung Man, Yu Ran Lee, and Chan Ho Kwon. "Conformational Structures of Neutral and Cationic Pivaldehyde Revealed by IR-Resonant VUV-MATI Mass Spectroscopy." International Journal of Molecular Sciences 23, no. 23 (November 26, 2022): 14777. http://dx.doi.org/10.3390/ijms232314777.

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Анотація:
Pivaldehyde, which is an unwanted by-product released with engine exhaust, has received considerable research attention because of its hydrocarbon oxidations at atmospheric temperature. To gain insight into the conformer-specific reaction dynamics, we investigated the conformational structures of the pivaldehyde molecule in neutral (S0) and cationic (D0) states using the recently invented IR-resonant VUV-MATI mass spectroscopy. Additionally, we constructed the two-dimensional potential energy surfaces (2D PESs) associated with the conformational transformations in the S0 and D0 states to deduce the conformations corresponding to the measured vibrational spectra. The 2D PESs indicated the presence of only the eclipsed conformation in the global minima of both states, unlike those in propanal and isobutanal. However, comparing the IR-dip VUV-MATI spectra from two intense peaks in the VUV-MATI spectrum with the anharmonic IR simulations revealed the correspondence between the gauche conformer on the S0 state and the measured IR spectra. Furthermore, Franck–Condon analysis confirmed that most peaks in the VUV-MATI spectrum are attributed to the adiabatic ionic transitions between the neutral gauche and cationic eclipsed conformers in pivaldehyde. Consequently, electron removal from the highest occupied molecular orbital, consisting of the nonbonding orbital of the oxygen atom in pivaldehyde, promoted the formyl-relevant modes in the induced cationic eclipsed conformer.
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7

Metha, G. F., M. A. Buntine, D. C. Mcgilvery, and R. J. S. Morrison. "The (n, 3s) Rydberg State in Deuterated Aldehydes: Jet-Cooled MPI Spectra of the Propanal Isotopomeric Series." Journal of Molecular Spectroscopy 165, no. 1 (May 1994): 32–56. http://dx.doi.org/10.1006/jmsp.1994.1109.

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8

Brei, Volodymyr. "OXIDATION OF ALCOHOLS OVER CERIUM-OXIDE CATALYST: CORRELATION BETWEEN THE ACTIVATION ENERGY OF THE REACTION AND THE CHEMICAL SHIFT δ (R13 COH)". Ukrainian Chemistry Journal 85, № 8 (15 серпня 2019): 66–72. http://dx.doi.org/10.33609/0041-6045.85.8.2019.66-72.

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The oxidation of thirteen alcohols over sup-ported CeO2/Al2O3 catalyst with 10 wt.% of CeO2 have been studied using a desorption mass-spec-trometry technique. A catalyst sample 4–6 mg in quartz cuvette was evacuated at 100 0C, cooled to room temperature, and then adsorption of a alco-hol was provided. After vacuumation of alcohol excess, the TPR profiles of products of alcohol oxidation were recorded at sweep rate 2 a.u.m./sec and heating rate of 15 0C/min using MX-7304A monopole mass- spectrometer. Identification of formed aldehydes and ketones was provided on the bases of their characteristic ions in obtained mass-spectra, namely, acetaldehyde (m/e = 29, 44); pro-panal (29, 58); acetone (43, 58); butanal (44, 43); methyl propanal (43, 41, 72), 2-butanon (43, 72); methoxyacetone (45, 43); cyclohexanone (55); ace-tophenone (105, 77); benzaldehyde (77, 106). It was shown that the oxidation of several alcohols pro-ceeds in a wide temperature interval from 130 to 280 0C. So, peak of formaldehyde formation from me-thanol adsorbed on CeO2/Al2O3 is observed at 280 0C whereas peaks of methyl glyoxal and water formation from adsorbed hydroxyacetone are re-corded at 135 0 C. The linear correlation between activation energy of reaction and chemical shift δ (R13COH) of studied alcohols was found as Ea= 183 –1.4δ (kJ/mol). Respectively, the maximum oxi-dation rate, for instance, for methanol (50 ppm) is observed at 280 0C, for ethanol (58 ppm) at 215 0C, for n-butanol (62 ppm) at 200 0C, for n-propanol (64 ppm) at 190 0C, for 2-butanol (69 ppm) at 160 0C, for hydroxyacetone (69 ppm) at 135 0C, and for 1-phenylethanol (70 ppm) at 130 0C. Thus, ability of alcohols to oxidation decreases with increase of their electronic density on carbon atom of alcohol group in following order: 1-phenyl ethanol ≈ hyd-roxyacetone ≈ cyclohexanol > allyl alcohol ≈ 2-bu-anol ≈ i-butanol ≈ i-propanol > methoxypropanol-2 ≈ n-propanol ≈ n-butanol ≈ benzyl alcohol ≈ ethanol >> methanol. On an example of ethanol, the scheme of alcohol oxidation on ceria that assumes the addition of atomic oxygen to C–H bond of alcoho-lic group with intermediate acetaldehyde hydrate formation is discussed.
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9

Demaison, J., H. Maes, B. P. Van Eijck, G. Wlodarczak, and M. C. Lasne. "Determination of the moment of inertia of methyl groups: Analysis of the millimeterwave spectra of cis-propanal and methylthioethyne." Journal of Molecular Spectroscopy 125, no. 1 (September 1987): 214–24. http://dx.doi.org/10.1016/0022-2852(87)90208-6.

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10

METHA, G. F., M. A. BUNTINE, D. C. MCGILVERY, and R. J. S. MORRISON. "ChemInform Abstract: The (n, 3s) Rydberg State in Deuterated Aldehydes: Jet-Cooled MPI Spectra of the Propanal Isotopomeric Series." ChemInform 26, no. 8 (August 18, 2010): no. http://dx.doi.org/10.1002/chin.199508036.

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Дисертації з теми "Propanal Spectra"

1

Roney, Alfred B. "Structure and dynamics of heterogeneous molecular systems." [Tampa, Fla] : University of South Florida, 2006. http://purl.fcla.edu/usf/dc/et/SFE0001678.

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2

Maes, Hervé. "Etude théorique et expérimentale de la rotation interne dans des molécules d'intérêt astrophysique : réalisation d'un programme informatique calculant le spectre et application à l'analyse en ondes millimétriques de l'acétaldéhyde, du méthylthiocyanate, du méthylthioéthyne et du propanal." Lille 1, 1986. http://www.theses.fr/1986LIL10141.

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Анотація:
Analyse des spectres de rotation de molécule en présence de rotation interne. Rappel des méthodes de traitement et choix de la méthode des axes internes. Description du programme informatique. Mesure des spectres millimétriques et submillimétriques de quatre molécules : méthylthioéthyne, méthylthiocyanate, acétaldéhyde propanal. Détermination des paramètres de rotation interne et de ceux de rotation globale et de distorsion centrifuge. On peut calculer avec précision les spectres de rotation de ces molécules ou de molécules similaires
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3

Stotski, Natalia [Verfasser], P. [Akademischer Betreuer] Ritt, and Torsten [Gutachter] Kuwert. "SPECT/CT Quantifizierung der Konzentration von Tc-99m-Dicarboxy-Propan-Diphosphat (DPD) in Metastasen bösartiger Tumoren. / Natalia Stotski ; Gutachter: Torsten Kuwert ; Betreuer: P. Ritt." Erlangen : Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), 2018. http://d-nb.info/1160087628/34.

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4

Renaud, Jean-Paul. "Oxydations d'alcanes et d'alcènes par des systèmes métalloporphyriniques modelés du cytochrome P-450." Paris 6, 1986. http://www.theses.fr/1986PA066139.

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Анотація:
La synthèse d'une pophyrine de fer à "anses de panier" chirale comportant des aminoacidés de configuration déterminée est décrite. On a étudié sa pureté optique et sa conformation en solution. Dans une deuxième partie on décrit un nouveau système oxydant catalytique utilisant l'eau oxygénée en présence d'une porphyrine de manganèse et d'imidazole permettant la conversion quantitative d'alcènes en époxydes et d'alcanes en alcools et cétones.
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5

WU, PEI-JU, and 吳佩儒. "A theoretical study of the photoelectron spectra of methanal, ethanal and propanal." Thesis, 2016. http://ndltd.ncl.edu.tw/handle/64551034393960516708.

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碩士
國立臺中教育大學
科學教育與應用學系碩士在職專班
105
The aim of this research was to compute the adiabatic ionization energies and to study the photoelectron spectra of methanal, ethanal and propanal by performing quantum-chemistry computations. The equilibrium geometries, harmonic vibrational frequencies and normal modes of the aldehydes and their cations were computed by the B3LYP/aug-cc-pVTZ method. The photoelectron spectra were simulated by computing Franck-Condon factors with the method developed by our group. The ionization energies were obtained by extrapolating the computed CCSD(T)/aug-cc-pVXZ (X = D, T, Q, 5) energies to the complete basis set limit. The computed equilibrium geometries and harmonic vibrational frequencies are in harmony with experimental values. The simulated photoelectron spectra and calculated adiabatic ionization energies of the aldehydes are also in agreement with experiment.
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Частини книг з теми "Propanal Spectra"

1

Cheatham, C. M., and J. Laane. "The Jet-Cooled Fluorescence Excitation Spectra, Potential Energy Functions, and Conformations of 2-Cyclopenten-1-one, Propanal, and Propynal in the S1(n,π*) Electronic Excited State." In Springer Proceedings in Physics, 179–82. Berlin, Heidelberg: Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-642-84771-4_54.

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2

WHITMAN, DONALD R., LARS ONSAGER, MARTIN SAUNDERS, and HUBERT E. DUBB. "Proton Magnetic Resonance Spectrum of Propane." In World Scientific Series in 20th Century Physics, 992–96. WORLD SCIENTIFIC, 1996. http://dx.doi.org/10.1142/9789812795786_0020.

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Тези доповідей конференцій з теми "Propanal Spectra"

1

Zingsheim, Oliver, Stephan Schlemmer, Frank Lewen, and Holger Müller. "THE (SUB-)MILLIMETER-WAVE SPECTRUM OF PROPANAL." In 72nd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2017. http://dx.doi.org/10.15278/isms.2017.rf07.

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2

Guirgis, Gamil A., W. E. Brewer, Jian Liu, Stephen Bell, and James R. Durig. "Far-infrared spectrum and barriers to internal rotation of propanal." In Luebeck - DL tentative, edited by Herbert M. Heise, Ernst H. Korte, and Heinz W. Siesler. SPIE, 1992. http://dx.doi.org/10.1117/12.56378.

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3

Daunt, Stephen, Robert Grzywacz, Jianbao Zhao, Brant Billinghurst, and Colin Western. "PROPANE ISOTOPOLOGUES: HIGH RESOLUTION FAR-IR SYNCHROTRON SPECTRA OF PROPANE-D7 (CD3-CDH-CD3) AND PROPANE-D5 (CH3-CD2-CD3)." In 2022 International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2022. http://dx.doi.org/10.15278/isms.2022.rl06.

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4

Rodríguez Méndez, Rosa M., Héctor H. Cerecedo-Nuñez, Jesús García-Guzmán, P. Padilla-Sosa, and M. A. Basurto-Pensado. "Spectral switch for butane/propane gas mixture detection." In Integrated Photonics Research, Silicon and Nanophotonics. Washington, D.C.: OSA, 2016. http://dx.doi.org/10.1364/iprsn.2016.jtu4a.25.

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5

Peterson, Karen, Stewart Novick, Yoon Choi, Eric Arsenault, and Wei Lin. "MICROWAVE SPECTRUM AND STRUCTURE OF THE METHANE-PROPANE COMPLEX." In 72nd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2017. http://dx.doi.org/10.15278/isms.2017.rh07.

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6

Atanasov, Atanas Todorov. "Some empiric correlations between the thermodynamic properties of Butanoic acid, aspartic acid, 1-propanol and their infrared spectra." In 10th Jubilee International Conference of the Balkan Physical Union. Author(s), 2019. http://dx.doi.org/10.1063/1.5091169.

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7

Miyakawa, Taru, Kazuhiro Hayashida, Kenji Amagai, and Masataka Arai. "LIF Thermometry in a Sooty Flame: An Application of Excitation-Emission Spectrum." In 2002 International Joint Power Generation Conference. ASMEDC, 2002. http://dx.doi.org/10.1115/ijpgc2002-26134.

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A new method for the temperature measurement in a sooty flame was developed, based on an excitation scan. A tunable, narrowband ArF excimer laser was used to excite various absorption lines in D2Σ+ ← X2Π(0,1) band of NO. Spectrum of the laser-induced emissions from the flame was obtained by using a spectrograph. In the case of a propane diffusion flame, this emission spectrum consisted of NO and O2 fluorescence, and off-resonance emissions related to the soot particles. These off-resonance emissions were usually stronger than the fluorescence. However the off-resonance emissions in the shorter wavelength region than 250 nm were weaker than the fluorescence. In other words, the ε(0,3) band of NO fluorescence which appeared in the ultra-violet region (around 208nm), was stronger than the off-resonance emissions, and was free from the O2 fluorescence. Therefore, the NO rotational temperature in a sooty flame could be deduced from the excitation spectrum based on the ε(0,3) band. In order to obtain the excitation spectrum based on the ε(0,3) band, an excitation-emission spectrum (EES) was obtained. NO rotational temperature in a propane diffusion flame was derived from this EES.
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8

Gough, K. M., F. L. Baudais, and H. L. Casal. "Vibrational Analysis of 1H-labelled Propanes In The 11500 to 100 cm-1 Spectral Region." In 1985 International Conference on Fourier and Computerized Infrared Spectroscopy, edited by David G. Cameron and Jeannette G. Grasselli. SPIE, 1985. http://dx.doi.org/10.1117/12.970875.

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9

Koch, R., W. Krebs, R. Jeckel, B. Ganz, and S. Wittig. "Spectral and Timeresolved Radiation Measurements in a Model Gas Turbine Combustor." In ASME 1994 International Gas Turbine and Aeroengine Congress and Exposition. American Society of Mechanical Engineers, 1994. http://dx.doi.org/10.1115/94-gt-403.

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In the context of an extensive experimental investigation of the turbulent, reacting flow in a model gas turbine combustor, the radiation emitted by the confined three-dimensional turbulent propane/air diffusion-flame has been studied. The present study comprises for the first time spectral and time-resolved measurements of the radiative intensity at different axial locations including the reaction zone, the mixing zone and the exit of the model combustor. The radiation measurements are presented together with measurements and CFD-calculations characterizing the reacting flow field. This data set is well suited for the validation of CFD-calculations including radiative heat transfer and also for studying the interaction between turbulence and radiation.
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10

Daunt, Stephen, Brant Billinghurst, Jean-Marie Flaud, Walter Lafferty та Robert Grzywacz. "FIRST HIGH RESOLUTION IR SPECTRA OF 2-D1-PROPANE. THE ν9 (A1) B-TYPE BAND NEAR 367.2389 cm−1." У 73rd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2018. http://dx.doi.org/10.15278/isms.2018.wh10.

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