Bibliografias temáticas / Clathrate compounds

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Literatura científica selecionada sobre o tema "Clathrate compounds"

Autor: Grafiati
Publicado: 4 de junho de 2021
Última modificação: 30 de julho de 2024

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Artigos de revistas sobre o assunto "Clathrate compounds"

1

Celli, Milva, Daniele Colognesi, Alessandra Giannasi, Lorenzo Ulivi, Marco Zoppi, Victoria Garcia Sakai e Aníbal Javier Ramírez-Cuesta. "Simple and Binary Hydrogen Clathrate Hydrates: Synthesis and Microscopic Characterization through Neutron and Raman Scattering". Advances in Science and Technology 72 (outubro de 2010): 196–204. http://dx.doi.org/10.4028/www.scientific.net/ast.72.196.

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The search for efficient hydrogen-storage materials has led to an increasing interest in hydrogen clathrate hydrates, since it has been demonstrated that an appreciable amount of molecular hydrogen can be stored in the water cages and released at melting. Different synthetic routes have been followed to maximize the quantity of trapped hydrogen and to speed up the kinetics of the clathrate formation. Here, we describe two different synthetic routes for the production of hydrogen clathrate hydrates. Then we present the results of inelastic neutron scattering and Raman light scattering experiments on simple (i.e. containing only hydrogen) and binary (i.e. with a second guest molecule) clathrates. For each class of compounds, we have obtained spectroscopic information on the motion of hydrogen inside the cages, on the occupancy of the cages by hydrogens, and on lattice dynamics. Finally, we have investigated the clathrate crystal stability and the hydrogen release as a function of temperature by means of neutron diffraction.
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Li, De Cong, e Hai Rong Wang. "Structural and Electrical Transport Properties of the Type-I Clathrate Phase Ba8Ga16InxGe30-x". Advanced Materials Research 833 (novembro de 2013): 343–48. http://dx.doi.org/10.4028/www.scientific.net/amr.833.343.

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Thermoelectric (TE) devices are increasingly being seen as having the potential to make important contributions to reducing greenhouse gas emissions and providing cleaner forms of energy. A number of articles have been devoted to the thermoelectric properties of materials. From the search for novel and effective thermoelectric materials the clathrate structures has emerged as one of the most promising candidates for achieving very high thermoelectric figure of merit: ZT= α2σT/κ, where α, T, σ and κ are the Seebeck coefficient, absolute temperature, electrical conductivity, and total thermal conductivity, respectively [1]. For the past decade, caged clathrate compounds of group IV elements have attracted much attention because they would possess a low kL value as the theoretical minimum one, which results from rattling of atoms filled in their cages [2-3]. There are the type-I, type-III, and type-VIII structures in thermoelectric clathrates, but most compounds adopt type-I structure (space group No.223; Pm-3n). A large number of the type-I clathrates with the chemical formula of II8III16IV30 (II=Ba, Sr, Eu, III=Al, Ga, In, and IV= Si, Ge, Sn) have been synthesized and studied intensively [5-11], which results in relatively high ZT values such as 0.7 at 700 K for Ba8Ga16Ge30 and 0.87 at 870 K for Ba8Ga16Si30 [3]. Among type-I clathrates, a single-crystal n-type Ba8Ga16Ge30 grown using the Czochralski method with a ZT of 1.35 at 900 K is one of the most promising results [12].
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Momma, Koichi. "Clathrate compounds of silica". Journal of Physics: Condensed Matter 26, n.º 10 (19 de fevereiro de 2014): 103203. http://dx.doi.org/10.1088/0953-8984/26/10/103203.

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Tsapko, Yu L. "Discussion problems of humus nature". Fundamental and Applied Soil Science 16, n.º 3-4 (25 de outubro de 2015): 83–89. http://dx.doi.org/10.15421/041521.

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The article is based on a generalization of the author's prior research and review of scientific sources, discussion questions about the nature of humus are put and in particular the latest structural views on the structure of humus are given. Is emphasized that despite the long experience of studying soil humus question its structural buildings has not been studied. Nowadays the scientific community there are a number of different and often antagonistic hypotheses on which the structure of humus is significantly different. Based on the features of genetic connection between fulvic and humic acids, which serve as precursors of the second, examined in detail the mechanism of formation humic acid as a result Connection by transverse by chemical bonds fulvic acid cyclic compounds through reactionary groups. The model of clathrate structure of humus is proposed, which shows that it has huge molecular weight inherent megamolecules or supramolecules. Mega molecules that are linked by hydrophobic powers and mineral soil matrix serve as the next level of organization (ordering) of humus. The last one causes extreme stability of clathrate structures of humus, and their ability to provide stable soils, a kind of buffering, certain biochemical background, color and so on. It is noted that the high stability of clathrates structure of humic acids provided by the presence in their inner part of a significant number of structured water. The high stability of clathrates is also explained by the fact that they necessarily contain such an integral part of humus as humic, which is closely associated with the mineral soil matrix. This fact allows to present the clathrate structures in a general model of humus. The proposed model crown clathrate buildings of humic acids allows the display of their interaction with cations, which is the basis for assessing changes of acid-base balance of soils. Because of the inherent humic acid clathrate structure becomes clear very high resistance to water the last as well as to acid hydrolysis. Due to the high biological activity of chernozems and high content of clay minerals, and thus high content of aluminum, is not observed the increasing of acidity and mineralization of humus. In our view, the first one is because of the fact that mobile aluminum and its compounds are the part of the inner clathrates structure and lose their reactivity and are not able to acidification of the soil environment; and the second one is because of the clathrates resistance of humus. In the latter suggests the following – distinction (single) crown compounds are rather easily destroyed by microorganisms, that is due to the high microbiological activity of soils, for example in the brown soils. However, in chernozems, in similar circumstances, there is an extremely high humus resistance as to different types of hydrolysis and mineralization also. In the sod-podzolic soils and the brown soils the processes of compound crowns of fulvic acids in a complex of humic acid clathrates are slowed down. As a result, the ratio of humic acid and fulvic acid decreases, and as a rule, the soil acidity increases. The opinions on the structural organization of humus presented in article are only part of the problems. Their solving is dictated by the need for the development of modern science about soils. The other opinions in the context of the article, and in many other fields of Soil Science are extremely interesting.
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Huang, Yingying, Chongqin Zhu, Lu Wang, Xiaoxiao Cao, Yan Su, Xue Jiang, Sheng Meng, Jijun Zhao e Xiao Cheng Zeng. "A new phase diagram of water under negative pressure: The rise of the lowest-density clathrate s-III". Science Advances 2, n.º 2 (fevereiro de 2016): e1501010. http://dx.doi.org/10.1126/sciadv.1501010.

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Ice and ice clathrate are not only omnipresent across polar regions of Earth or under terrestrial oceans but also ubiquitous in the solar system such as on comets, asteroids, or icy moons of the giant planets. Depending on the surrounding environment (temperature and pressure), ice alone exhibits an exceptionally rich and complicated phase diagram with 17 known crystalline polymorphs. Water molecules also form clathrate compounds with inclusion of guest molecules, such as cubic structure I (s-I), cubic structure II (s-II), hexagonal structure H (s-H), tetragonal structure T (s-T), and tetragonal structure K (s-K). Recently, guest-free clathrate structure II (s-II), also known as ice XVI located in the negative-pressure region of the phase diagram of water, is synthesized in the laboratory and motivates scientists to reexamine other ice clathrates with low density. Using extensive Monte Carlo packing algorithm and dispersion-corrected density functional theory optimization, we predict a crystalline clathrate of cubic structure III (s-III) composed of two large icosihexahedral cavities (8668412) and six small decahedral cavities (8248) per unit cell, which is dynamically stable by itself and can be fully stabilized by encapsulating an appropriate guest molecule in the large cavity. A new phase diagram of water ice with TIP4P/2005 (four-point transferable intermolecular potential/2005) model potential is constructed by considering a variety of candidate phases. The guest-free s-III clathrate with ultralow density overtakes s-II and s-H phases and emerges as the most stable ice polymorph in the pressure region below −5834 bar at 0 K and below −3411 bar at 300 K.
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Belosludov, V. R., O. S. Subbotin, D. S. Krupskii, O. V. Prokuda, R. V. Belosludov e Y. Kawazoe. "Microscopic model of clathrate compounds". Journal of Physics: Conference Series 29 (1 de janeiro de 2006): 1–7. http://dx.doi.org/10.1088/1742-6596/29/1/001.

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Nagao, Jiro. "C151 Research on Clathrate Compounds". Proceedings of the Thermal Engineering Conference 2006 (2006): 103–4. http://dx.doi.org/10.1299/jsmeted.2006.103.

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Bock, Hans, Norbert Nagel e Peter Eller. "Wechselwirkungen in Molekülkristallen, 153 [1 - 3]. Wirt/Gast-Einschlußverbindungen von N,N'-Ditosyl-p-phenylendiamin-Derivaten: Die Kristallstrukturen von N,N'-Di(4-ethyl-benzosulfuryl)-p-phenylendiamin und seinen Aggregaten mit Aceton und Cyclopentanon / Interactions in Molecular Crystals, 153 [1 - 3]. Host/Guest-Inclusion Compounds of N,N'-Ditosyl-p-phenylenediamine Derivatives: The Crystal Structures of N,N'-Di(4-ethyl-benzosulfuryl)-p-phenylenediamine and its Aggregates with Acetone and Cyclopentanone". Zeitschrift für Naturforschung B 54, n.º 4 (1 de abril de 1999): 491–500. http://dx.doi.org/10.1515/znb-1999-0413.

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A class of novel inclusion compounds based on the hydrogen-bonded host lattice of N,N′- ditosyl-p-phenylenediamine is the starting point for the investigation of derivatives such as N,N′- di(4-ethyl-benzosulfuryl)-p-phenylenediamine. Structures of both the guest-free compound and of its clathrates with acetone as well as cyclopentanone suggest a considerable enthalpy of formation contribution from the conformational change of the sulfonamide backbone on adaption of the guest molecules. The host channels of the N,N′-ditosyl-p-phenylenediamine inclusion compounds are compared to those of the ethyl derivative elongated by two H2C substituent units, and the crystal packing in its cyclopentanone clathrate with an unexpected type of bulged channels is emphasized.
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Yan, X., E. Bauer, P. Rogl e S. Paschen. "Influence of Sn on the structural and thermoelectric properties of the type-I clathrates Ba8Cu5Si6Ge35-xSnx (0 ≤ x ≤ 0.6)". MRS Proceedings 1490 (2013): 19–26. http://dx.doi.org/10.1557/opl.2013.23.

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ABSTRACTOn the search for cost-competitive thermoelectric clathrates we have investigated the influence of Sn substitutions for Ge on the structural and thermoelectric properties of the type-I clathrate Ba8Cu5Si6Ge35. The solid solubility of Sn was found to be limited to 0.6 atoms per unit cell. A series of compounds with the nominal compositions Ba8Cu5Si6Ge35-xSnx (x = 0.2, 0.4, 0.6) was synthesized in a high-frequency furnace. The samples were annealed, and subsequently ball milled and hot pressed. The hot pressed samples were characterized by X-ray powder diffraction, energy-dispersive X-ray spectroscopy and transport property measurements. Our results show that the substitution of Ge by Sn introduces vacancies at the 6d site of the type-I clathrate structure and shifts the highest dimensionless thermoelectric figure of merit ZT from 570 °C for the Sn free sample to lower temperatures. The highest figure of merit ZT = 0.42 is reached at about 320 °C for the Sn-substituted sample Ba8Cu5Si6Ge35Sn0.6.
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Iskineyeva, A. S., A. K. Mustafayeva, R. E. Bakirova, S. D. Fazylov e O. A. Nurkenov. "COMBINED IN SILICO AND EXPERIMENTAL INVESTIGATIONS OF VITAMIN D3 ENCAPSULATION BY STARCH β-OLIGOSACCHARIDE". HERALD OF SCIENCE OF S SEIFULLIN KAZAKH AGRO TECHNICAL RESEARCH UNIVERSITY, n.º 1(116) (13 de março de 2023): 317–26. http://dx.doi.org/10.51452/kazatu.2023.1(116).1327.

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The relevance of the research lies in the need to develop methods for encapsulating fat-soluble vitamins with natural oligosaccharides to increase their water solubility and use in the production of functional foods. The production ofnanostructured encapsulated vitamins is a new innovative direction in the food industry. This article presents the results of theoretical and experimental studies on the production of a clathrate complex of fat-soluble vitamin D3 (ViD3, cholecalciferol) with β-cyclodextrin (β-CD). The interaction of fat-soluble ViD3 with β-oligosaccharide was carried out by microwave activation. Encapsulation of ViD3 in the β-CD: ViD3 clathrate complex led to a change in the aggregate state of the ViD3 oil solution. The resulting supramolecular water-soluble ViD3 inclusion complex was investigated in silico by molecular docking and molecular modeling methods. The synthesized β-CD: ViD3 complex belongs to host-guest inclusion compounds and has better solubility. The spectral properties of the β-CD: ViD3 inclusion complex are characterized by the data of IR Fourier spectroscopy and the results of thermographic measurements on a differential scanning calorimeter. The activation energy of the reaction of the thermo-oxidative destruction of the β-CD: ViD3 inclusion complexes is calculated, the kinetic parameters of the thermal destruction of clathrates are determined. It is shown that the decisive role in the formation of the clathrate complex belongs to non-specific (hydrophobic, dispersion and van der Waals) interactions. The results obtained are promising for further understanding of the mechanism of molecular encapsulation of ViD3 compounds.
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Mais fontes

Teses / dissertações sobre o assunto "Clathrate compounds"

1

Nohako, Kanyisa. "Immunosensors developed on clathrate platform compounds". Thesis, University of the Western Cape, 2013. http://hdl.handle.net/11394/4428.

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Philosophiae Doctor - PhD
Organic noncyclic compounds were used in the development of immunosensor for rapid fish species detection. Flourene derivatives show unique chemical and physical properties because they contain a rigid planar biphenyl unit, and the facile substitution at C9 position of the flourene can improve the solubility and processability of materials containing flourene without significantly increasing of steric interactions in the compounds backbone. 9-(4- methoxyphenyl)-9H-xanthen-9-ol is bulky, rigid and has an hydroxyl moiety that may act as a hydrogen – bond donor, as well as a pyranyl oxygen which is a potential hydrogen –bond acceptor. We have successfully synthesised 9,9’-(ethyne1,2-diyl)bis(flouren-9-ol) by reflux method and 9-(4-methoxyphenyl)-9H-xanthen-9-ol through stirring at room temperature. The products were characterised using spectroscopic methods and were found to be both UV/Vis active (λmax = 400 nm flourene derivative and λmax = 337 nm xanthene derivative ) and fluorescent (440nm and 467nm flourene derivative and 344 and 380 xanthene derivative). These compounds were drop coated onto commercial glassy carbon electrode (GCE) to produce thin films. Scan rate dependent cyclic voltammetry (CV) confirmed the electrodynamics of the thin films to be consistent with monolayer diffusion (De = 1.37x10-21 cm2/s flourene derivative and De = 9.79x10-21 cm2/s xanthene derivative). Surface concentration was estimated to be 1.55x10-13 mol cm-2 flourene derivative and 2.00x10-13 mol cm-2. These compounds were used for the inclusion of parvalbumin antibodies immobilised onto clathrate platform by incubation and were evaluated as immunosensors for fish species identification. The antibody/antigen binding event was evaluated using UV/Vis spectroscopy, electrochemical impedance spectroscopy (EIS) and atomic force microscopy (AFM). The immunosensor response to parvalbumin in real samples of snoek (an indigenous fish species), tuna, fish paste, eyeshadow, lipstick, omega 3&6 and Scott's emulsion was evaluated. The sensitivity as calculated from EIS for each immunosensor was found to be 5.36x104 flourene derivative immunosensor and 4,11x104 xanthene derivative immunosensor and the detection limit of 1.50 pg/ml flourene derivative immunosensor and 2.42 pg/ml xanthene derivative immunosensor. The antibody/antigen binding was monitored as decrease in charge transfer resistance and increase in capacitance by EIS. The interfacial kinetics of the immunosensors were modelled as equivalent electrical circuit based on EIS data. The UV/Vis spectroscopy was used to confirm the binding of the antibody/antigen in solution by monitoring the intensity of the absorption peak.
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Bentien, Anders [Verfasser]. "Transport and magnetic properties of rare-earth containing clathrates and clathrate-like compounds / Anders Bentien". Aachen : Shaker, 2005. http://d-nb.info/1181619599/34.

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Harvey, Grant Andrew. "Structure and reactivity of diol host-guest compounds". Master's thesis, University of Cape Town, 1990. http://hdl.handle.net/11427/17286.

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Includes bibliographical references.
The crystal structures of trans-9, 10-dihydroxy-9, 10-diphenyl-9, 10- dihydroanthracene with various guest molecules have been determined by X-ray diffraction. The guests were 2-butanone, 4-vinylpyridine, 4-methylpyridine and 2-methylpyridine. The host to guest ratios were determined by microanalysis and density measurements. The change of the overall host lattice structure upon guest release was studied by X-ray powder diffraction. The thermal characteristics of the compounds were studied using thermogravimetric analysis and differential scanning calorimetry. Guest desorption from three of the four compounds occurred in a single step whereupon the host framework collapsed back to the guest-free structure. The compound containing 4-methylpyridine, released the guest molecules in a two-step process. Evidence of a new host phase was identified from the XRD pattern of this intermediate phase. On further guest release, the intermediate phase converted to the guest-free host structure. In an attempt to reconcile thermodynamics with structure, the correlation between hydrogen bond length and guest desorption enthalpy was investigated.
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Lavelle, Laurence. "Selective criteria in Werner clathrates". Thesis, University of Cape Town, 1988. http://hdl.handle.net/11427/23608.

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We have elucidated the structures of a series of Werner Clathrates with systematically changing guest molecules. The host is the inorganic coordination compound bis(isothiocyanato)tetra(4-vinylpyridine)nickel(II), [Ni(NCS)2(4-ViPy)4]. The guests are mixtures of tetrahydrofuran and the cyclic hydrocarbons: cyclohexane, cyclohexene, 1,3-cYclohexadiene, 1,4-cyclohexadiene and benzene. Host to guest ratios were elucidated by density and proton nuclear magnetic resonance spectroscopy. The thermal characteristics of the compounds were analysed by thermogravimetric analysis and differen.tial thermal analysis. The structures of two related compounds [Ni(NCS)2(Py)4] and [Ni(NCS)2(Py)4].nbenzene were also studied.
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Dahn, Douglas Charles. "Low temperature specific heat of LixNbS2 intercalation compounds". Thesis, University of British Columbia, 1985. http://hdl.handle.net/2429/25563.

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This thesis describes a study of the low temperature specific heat of LiⅹNbS₂, where x is between 0 and 1. Samples were prepared by intercalating lithium into niobium disulfide in electrochemical cells. Structural data obtained by x-ray diffraction are presented. These, together with electrochemical measurements, show that staged phases exist for some values of x. The electronic specific heat of LiⅹNbS₂, is consistent with complete charge transfer from the intercalated lithium to the bands of the NbS2 host. The lattice specific heat also shows large changes as a function of x. A discussion of the data in terms of continuum elasticity theory suggests that intercalation produces large changes in the shear elastic constant C₄₄ . A brief discussion of superconductivity in LiⅹNbS₂, is also included.
Science, Faculty of
Physics and Astronomy, Department of
Graduate
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6

Sayed, Amina. "Synergistic effects in clathrate selectivity". Thesis, Cape Peninsula University of Technology, 2012. http://hdl.handle.net/20.500.11838/747.

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Thesis (MTech (Chemistry))-- Cape Peninsula University Technology, 2012
The inclusion behaviour of a series of hydroxyl hosts with a variety of liquid guests has been investigated. The host 9-(4-methoxyphenyl)-9H-xanthen-9-ol (A1), C20H16O3, forms inclusion compounds with aniline (ANI), 3-picoline (3PIC), morpholine (MORPH), Nmethylacetamide (NMA) and N-methylformamide (NMF). Their structures have been elucidated and correlated with their thermal behaviour. The inclusion compounds A1ANI and A1MORPH were successfully solved in space group P21/c, whereas A13PIC was solved in 𝑃ī. Non-isothermal kinetics of desolvation were performed for A13PIC and A1MORPH. The packing of A13PIC and A1MORPH is characterized by (Host)(Guest) hydrogen bonds, whereas A1ANI is stabilised by (Host)(Host) hydrogen bonding. Three structures were obtained for the host A1 and the guest N-methylacetamide, with structural formulas of C20H16O3 C3H7NO (A1NMA), C20H16O3 2C3H7NO (A12NMA) and 2C20H16O3 2C3H7NO (2A12NMA). The packing of A1NMA, A12NMA and 2A12NMA are characterized by (Host)-OHO-(Guest) and (Guest)-NHO-(Guest) hydrogen bonds, which gave hydrogen bonding patterns of 𝐶2 2(7), 𝐶3 3(11) and 𝐶4 2(11) respectively. The hydrate A1NMFH2O was successfully solved in the triclinic space group 𝑃ī. The A1NMFH2O hydrogen bond pattern may be described according to Etter’s notation as 𝑅4 2(8) and 𝑅6 6(16). The host 9-(3-methoxyphenyl)-9H-xanthen-9-ol (A2), C20H16O3, forms inclusion compounds with morpholine (A2MORPH), N-methylacetamide (A2NMA) and N-methylformamide (A2NMF), with host-guest ratios 1:1. The crystal structure of the apohost was solved in Pbca with Z=8. The structures of A2MORPH and A2NMF were solved in 𝑃ī, whereas A2NMA was solved in P21/n. The packing of these structures is stabilised by (Host)(Guest) hydrogen bonds. The host 5-(4-methoxyphenyl)-5H-dibenzo[a,d]cyclohepten-5-ol (A26), C22H18O2, forms inclusion compounds with aniline (A26ANI) and morpholine (A26MORPH). A26MORPH and A26ANI crystallised in the space groups Pc and 𝑃ī respectively. The packing of these structures are characterized by (Host)-OHO-(Host) hydrogen bonding. A guest exchange reaction was performed. The host compounds 5-(4-chlorophenyl)-5H-dibenzo[a,d]cyclohepten-5-ol (C21H15OCl), 5-[3(trifluoromethyl)phenyl]-5H-dibenzo[a,d]cyclohepten-5-ol (C22H15OF3) and 5-(naphthalen-1-yl)-5H-dibenzo[a,d]cyclohepten-5-ol (C25H18O) form inclusion compounds with morpholine. All three structures were solved in 𝑃ī with the host molecules hydrogen bonded to the morpholine guests.
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Peek, Mary Elizabeth. "Crystal structures of DNA*bis-intercalator complexes". Diss., Georgia Institute of Technology, 1995. http://hdl.handle.net/1853/27122.

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Jin, Pei-Wen. "Synthesis and Structure of Polynitro- and Polymenthylpolycyclic "Cage" Monomers and Polymers". Thesis, North Texas State University, 1987. https://digital.library.unt.edu/ark:/67531/metadc332109/.

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The objective of this study was to synthesize and characterize new energetic polycyclic "cage" compounds. As part of a program involved in the synthesis of new polynitropolycyclic compounds, 2,6-dinitro-5-methoxy- 7-carbomethoxypentacyclo[5. 3 .0 . 0* • * . CP • i ° . 0* •8]decane has been synthesized. This is a model system which can be used to study (1) the effect of nitro substitution on the photolability of carbon-carbon double bonds and (2) to develop methods for avoiding Haller-Bauer cleavage in cage /3-keto esters when synthesizing polynitro-substituted cage compounds.
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9

Taylor, Michael William. "Structures of Werner clathrates". Doctoral thesis, University of Cape Town, 1989. http://hdl.handle.net/11427/22139.

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This work is predominantly devoted to the 4-phenylpyridine ligand and the role that it plays in the formation of a series of inorganic coordination complexes termed Werner Clathrates. The synthesis and characterization by single crystal X-ray diffraction techniques are reported for 18 structures, the majority of which, upon crystallization, have the ability to include solvent or guest molecules within the host framework. The compounds are divided into four broad classes with the host complex of each as follows: Class A [Ni(NCS)₂(4-PhPy)₄]; Class B [NiCl₂(4-PhPy)₄]; Class c [Ni(NCS)₂(4-MePy)₂(4-PhPy)₂]; Class D [NiX₂(dmso)₂(4-PhPy)₂] where X= Ncs- or Cland [Ni(NCS)₂(4-RPy)₄] where R = 4-t-Bu or 4-Bz. The guest molecules, anionic ligand and substituent on the pyridine ligand have all been varied to try to establish the role that they each play in the formation of a structure. Much effort has been spent on the location and refinement of disordered guest molecules. Use has been made of statistical disorder and molecular scattering factors to try and successfully model these guests. The shapes of the cavities containing the guest molecules have been mapped by volume calculations and comparisons made between the packing of the compounds. Several of the complexes pack in space groups which are subsets of others and attempts have been made to determine the cause of the reduction in symmetry. A new technique to analyze competition experiments, with two guest solvents competing for occupation of the voids within the host lattice, has been established. Preliminary results for competition between p-xylene/benzene, p-xylene/toluene and p-xylene/ethylbenzene with the host complex [Ni(NCS)₂(4-ViPy)₄] are reported. The ability of the host complex [Ni(NCS)₂(4-MePy)₂(4-PhPy)₂] to separate a series of straight chain alcohols is demonstrated. The preference, by this host complex, for guest molecules containing a linear skeleton of 5 non-hydrogen atoms, is explained in terms of potential energy and residual volume calculations. Thermal analysis, consisting of thermogravimetry and differential thermal analysis, has been performed on several of the compounds. Temperatures of guest release, host decomposition and the enthalpies involved at each of these steps are reported.
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10

Moore, Madeleine Henrietta. "Structure-activity relationships in Werner clathrates". Doctoral thesis, University of Cape Town, 1987. http://hdl.handle.net/11427/17038.

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Includes bibliographical references.
The synthesis and characterization of a series of inorganic coordination compounds which, upon crystallization, have the ability to include solvent or guest molecules spatially within the lattice are reported. The compounds have the following general formula: [NiX2B4] - where X is isothiocyanate or bromine and B is 4-ethylpyridine, 4-vinylpiridine or 3,5-dimethylpyridine; [NiX2B2]n - where X is isothiocyanate, B is 2-aminopyridine and n indicates it is a polymer; [NiX2AB2]2 - where X is isothiocyanate, B is 3-aminopyridine (two of these four ligands in the dimer are bridging) and A is water. The various guest molecules have been carefully chosen, according to their point symmetry, which is a key factor in yielding structures of a particular type. The structures of seventeen compounds have been elucidated by single crystal x-ray analysis. The difficulty has been found to lie in refining disordered guest molecules. Other techniques employed in the initial characterization of these compounds are Microanalysis, Mass Spectrometry and UV/Visible Spectrophotometry. An intramolecular potential energy study on the [Ni(NCS)2(3,5-diMepy)4] complex reveals that the orthohydrogens on the 3,5-dimethylpyridine ligands control the conformation of the molecule. Packing densities and volume comparisons of the [Ni(NCS)2(4-Etpy)4] and [Ni(NCS)2(4-Vipy)4] complexes and their clathrates have been carried out. The exact sizes and shapes of the cavities in which the guest molecules are located in the x-ray crystal structures have been evaluated by both intermolecular potential energy and molecular volume calculations. Thermodynamic and spectroscopic properties of the [Ni(NCS)2(4-Etpy)4] and [Ni(NCS)2(4-Vipy)4] clathrates have been studied in both solution and the solid state. The techniques used are x-ray powder diffractometry, IR spectroscopy and Thermogravimetry (including Differential Thermal Analysis).
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Livros sobre o assunto "Clathrate compounds"

1

L, Atwood J., Davies J. E. D e MacNicol D. D, eds. Inclusion compounds. Oxford: Oxford University Press, 1991.

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2

Sloan, E. Dendy. Clathrate hydrates of natural gases. 3a ed. Boca Raton, FL: CRC Press/Taylor & Francis, 2007.

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Sloan, E. Dendy. Clathrate hydrates of natural gases. New York: M. Dekker, 1990.

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Sloan, E. Dendy. Clathrate hydrates of natural gases. 2a ed. New York: Marcel Dekker, 1998.

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5

International Seminar on Inclusion Compounds (9th 2003 Novosibirsk, Russia). IXth International Seminar on Inclusion Compounds, (ISIC-9): Dedicated to the memory of Professor Yu.A. Dyadin: program, abstracts, list of participants. Editado por Di︠a︡din I︠U︡ A, Rodionova T. V e Institut neorganicheskoĭ khimii (Rossiĭskai︠a︡ akademii︠a︡ nauk). Novosibirsk: In-t neorganicheskoĭ khimii, 2003.

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6

E, Weber, e Gerdil R, eds. Molecular inclusion and molecular recognition: Clathrates I. Berlin: Springer-Verlag, 1987.

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7

United States. National Aeronautics and Space Administration., ed. Graphite intercalation compounds prepared from graphite fluoride. [Washington, DC]: National Aeronautics and Space Administration, 1994.

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8

H, Moore Marla, e United States. National Aeronautics and Space Administration., eds. Far-infrared investigations of a methanol clathrate hydrate: Implications for astronomical observations. [Washington, DC: National Aeronautics and Space Administration, 1992.

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Donald, Kucera, e United States. National Aeronautics and Space Administration., eds. Graphite intercalation compound with iodine as the major intercalant. [Washington, DC: National Aeronautics and Space Administration, 1992.

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H, Moore Marla, e United States. National Aeronautics and Space Administration., eds. Far-infrared investigations of a methanol clathrate hydrate: Implications for astronomical observations. [Washington, DC: National Aeronautics and Space Administration, 1992.

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Capítulos de livros sobre o assunto "Clathrate compounds"

1

Dyadin, Yu A. "Constitution and Stability of Clathrate Hydrates". In Crystallography of Supramolecular Compounds, 223–41. Dordrecht: Springer Netherlands, 1996. http://dx.doi.org/10.1007/978-94-009-1692-0_13.

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2

Zubkus, Vladimir E., Evaldas E. Tornau e Vladimir R. Belosludov. "Theoretic Physicochemical Problems of Clathrate Compounds". In Advances in Chemical Physics, 269–359. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470141380.ch4.

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Yamanaka, Shoji, Hitoshi Kawaji e Mitsuo Ishikawa. "Preparation and Superconductivity of New Silicon Clathrate Compounds". In Advances in Superconductivity VIII, 419–24. Tokyo: Springer Japan, 1996. http://dx.doi.org/10.1007/978-4-431-66871-8_91.

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4

Yoshida, Noboru, Akitoshi Seiyama e Masatoshi Fujimoto. "Thermodynamic Parameters for the Molecular Inclusion Reactions of Some AZO Compounds with α-Cyclodextrin". In Clathrate Compounds, Molecular Inclusion Phenomena, and Cyclodextrins, 573–81. Dordrecht: Springer Netherlands, 1992. http://dx.doi.org/10.1007/978-94-009-5376-5_61.

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Harata, K., K. Uekama, M. Otagiri e F. Hirayama. "Crystal Structures of Cyclodextrin Complexes with Chiral Molecules". In Clathrate Compounds, Molecular Inclusion Phenomena, and Cyclodextrins, 583–94. Dordrecht: Springer Netherlands, 1992. http://dx.doi.org/10.1007/978-94-009-5376-5_62.

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6

Kim, Chang Oh, Jin Heung Kim e Nak Kyu Chung. "A Study on Supercooling Characteristics of Clathrate Compounds with Concentration of TMA". In Materials Science Forum, 645–48. Stafa: Trans Tech Publications Ltd., 2007. http://dx.doi.org/10.4028/0-87849-431-6.645.

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Yamanaka, Shoji. "High Pressure Synthesis of Superconducting Silicon Clathrates and Related Compounds". In The Physics and Chemistry of Inorganic Clathrates, 193–226. Dordrecht: Springer Netherlands, 2014. http://dx.doi.org/10.1007/978-94-017-9127-4_7.

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Kim, Chang Oh, Jin Heung Kim e Nak Kyu Chung. "A Study on the Cooling Characteristics of TMA Clathrate Compound with Additives". In Experimental Mechanics in Nano and Biotechnology, 1275–78. Stafa: Trans Tech Publications Ltd., 2006. http://dx.doi.org/10.4028/0-87849-415-4.1275.

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Ripmeeste, J. A., e C. I. Ratcliffe. "Solid state Nmr studies of inclusion compounds". In Inclusion Compounds, 37–89. Oxford University PressOxford, 1991. http://dx.doi.org/10.1093/oso/9780198552932.003.0002.

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Abstract In the last review of solid state NMR as applied to clathrates,1 the emphasis was on clathrate hydrate work, with smaller contributions from studies on quinol and other clathrates. This time again clathrate hydrates are prominent, as these materials are perhaps the simplest and best understood of the clathrates. Since much work has been carried out on the channel inclusion compounds (urea, thiourea, cyclopho’ Sphazene, deoxycholic acid) these are also reviewed. For the sake of completeness, earlier work on these materials has also been summarized. Other host materials reviewed include cyclodextrins, tri-o-thymotide, and Dianin’s compound.
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Atwood, Jerry L. "Inclusion (Clathrate) Compounds". In Encyclopedia of Physical Science and Technology, 717–29. Elsevier, 2003. http://dx.doi.org/10.1016/b0-12-227410-5/00334-3.

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Trabalhos de conferências sobre o assunto "Clathrate compounds"

1

Sakamoto, Hirokazu. "NMR studies of silicon clathrate compounds". In NANONETWORK MATERIALS: Fullerenes, Nanotubes, and Related Systems. AIP, 2001. http://dx.doi.org/10.1063/1.1420161.

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2

Ryan, J. C., D. V. Plant, C. L. Adler e N. M. Lawandy. "Optical properties of β-quinol clathrates in the far infrared". In OSA Annual Meeting. Washington, D.C.: Optica Publishing Group, 1988. http://dx.doi.org/10.1364/oam.1988.thdd3.

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Clathrate compounds are ideal systems for the study of quantum confined atoms and molecules. Experimental and theoretical studies of β-quinol clathrates with a variety of guest atoms and molecules have been performed. A harmonic potential with quartic perturbation has been used to model the β-quinol cage seen by the guest atom or molecule to explain comparable far-infrared transition probabilities from quantized states of the clathrate cage for noble gas atoms and simple homonuclear and heteronuclear diatomics.1 Predictions of overtone absorption cross section and third-order nonlinear susceptibilities have been made based on this model. Experiments were aimed at determining overtone cross sections and third harmonic generation susceptibilities. The overtone and fundamental excitation of N2 and Xe clathrates were studied using a cw CH2F2 laser at 184.6 μm and several CO2 TEA laser-pumped superfluorescent emissions of NH3 and D2O. In addition, third harmonic generation was studied in Xe clathrates using MW/cm2 sources as the fundamentals just below the n= 0 → 1 transition at 43.5 cm−1.
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3

Kweon, G., G. Beadie e N. M. Lawandy. "Pyroelectric detection of light beams using a phase transition in guest–host compounds". In OSA Annual Meeting. Washington, D.C.: Optica Publishing Group, 1992. http://dx.doi.org/10.1364/oam.1992.mhh7.

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Because of their relative ease of fabrication, β-quinol clath-rates are one of the most studied among non- stoichiometric inclusion compounds. (quinol)3(CH3OH) x with x close to 1 has shown1 spontaneous polarization at a critical temperature near 66 K accompanying induced voltage across the sample. During the phase transition, the enclathrated methanol undergoes a sudden cooperative re-orientation during which the angle between the methanol C–O bond and the crystallographic C-axis changes discontinuously. This produces a large pyroelectric coefficient for high occupancy methanol clathrates, which suggests the possibility for a sensitive bolometer. We report on experiments where a clathrate connected by two electrical leads inside a He Dewar and held just below the transition temperature is exposed to laser radiation. By observing the voltage change, we can detect a wide range of IR and FIR wavelengths by using CO2-pumped superradiated FIR and Nd:YAG lasers. By keeping the sample size and the temperature gap small, the detector can be made very sensitive to incoming radiation.
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4

Anno, H., H. Fukushima, K. Koga, K. Okita e K. Matsubara. "Effect of Guest Substitution on Thermoelectric Properties of Clathrate Compounds". In 2006 25th International Conference on Thermoelectrics. IEEE, 2006. http://dx.doi.org/10.1109/ict.2006.331264.

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Bobev, Svilen, John Meyers, Veronika Fritsch e Yuki Yamasaki. "Synthesis and structural characterization of novel clathrate-II compounds of silicon". In 2006 25th International Conference on Thermoelectrics. IEEE, 2006. http://dx.doi.org/10.1109/ict.2006.331267.

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Anno, H., K. Suzuki, K. Koga e K. Matsubara. "Effect of Au substitution on thermoelectric properties of silicon clathrate compounds". In 2007 26th International Conference on Thermoelectrics (ICT 2007). IEEE, 2007. http://dx.doi.org/10.1109/ict.2007.4569465.

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Watanabe, T., T. Moriyasu, H. Okamura, K. Suekuni, T. Onimaru, T. Takabatake e T. Kohmoto. "Spatial and temporal dynamics of thermal and carrier diffusions in clathrate compounds". In 2013 Conference on Lasers and Electro-Optics Pacific Rim (CLEO-PR). IEEE, 2013. http://dx.doi.org/10.1109/cleopr.2013.6600587.

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Anno, H., M. Hokazono, H. Takakura e K. Matsubara. "Thermoelectric properties of BasAu/sub x/Ge/sub 46-x/ clathrate compounds". In ICT 2005. 24th International Conference on Thermoelectrics, 2005. IEEE, 2005. http://dx.doi.org/10.1109/ict.2005.1519898.

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Jung-Hwan Kim, Norihiko L. Okamoto, Kyosuke Kishida, Katsushi Tanaka e Haruyuki Inui. "Crystal structure and atomic vibration of Ba-Ge based type-III clathrate compounds". In 2007 26th International Conference on Thermoelectrics (ICT 2007). IEEE, 2007. http://dx.doi.org/10.1109/ict.2007.4569462.

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Watanabe, T., T. Moriyasu, H. Okamura, K. Suekuni, T. Onimaru, T. Takabatake e T. Kohmoto. "Direct Observation of the Spatial and Temporal Dynamics of Thermal Diffusion in Clathrate Compounds". In CLEO: Applications and Technology. Washington, D.C.: OSA, 2012. http://dx.doi.org/10.1364/cleo_at.2012.jw2a.13.

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