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Articles de revues sur le sujet « Clathrate compounds »

Auteur : Grafiati
Publié le 4 juin 2021
Mis à jour le 30 juillet 2024

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1

Celli, Milva, Daniele Colognesi, Alessandra Giannasi, Lorenzo Ulivi, Marco Zoppi, Victoria Garcia Sakai et 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 (octobre 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, et Hai Rong Wang. « Structural and Electrical Transport Properties of the Type-I Clathrate Phase Ba8Ga16InxGe30-x ». Advanced Materials Research 833 (novembre 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, no 10 (19 février 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, no 3-4 (25 octobre 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 et Xiao Cheng Zeng. « A new phase diagram of water under negative pressure : The rise of the lowest-density clathrate s-III ». Science Advances 2, no 2 (février 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 et Y. Kawazoe. « Microscopic model of clathrate compounds ». Journal of Physics : Conference Series 29 (1 janvier 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 et 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, no 4 (1 avril 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 et 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 et 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, no 1(116) (13 mars 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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Zhu, Li, Gustav M. Borstad, Hanyu Liu, Piotr A. Guńka, Michael Guerette, Juli-Anna Dolyniuk, Yue Meng et al. « Carbon-boron clathrates as a new class of sp3-bonded framework materials ». Science Advances 6, no 2 (janvier 2020) : eaay8361. http://dx.doi.org/10.1126/sciadv.aay8361.

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Carbon-based frameworks composed of sp3 bonding represent a class of extremely lightweight strong materials, but only diamond and a handful of other compounds exist despite numerous predictions. Thus, there remains a large gap between the number of plausible structures predicted and those synthesized. We used a chemical design principle based on boron substitution to predict and synthesize a three-dimensional carbon-boron framework in a host/guest clathrate structure. The clathrate, with composition 2Sr@B6C6, exhibits the cubic bipartite sodalite structure (type VII clathrate) composed of sp3-bonded truncated octahedral C12B12 host cages that trap Sr2+ guest cations. The clathrate not only maintains the robust nature of diamond-like sp3 bonding but also offers potential for a broad range of compounds with tunable properties through substitution of guest atoms within the cages.
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Donnelly, Mary-Ellen, Craig Bull, Athina Frantzana, Stefan Klotz et John Loveday. « Hydrogen-rich Inclusion Compounds at High-pressure ». Acta Crystallographica Section A Foundations and Advances 70, a1 (5 août 2014) : C754. http://dx.doi.org/10.1107/s2053273314092456.

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Molecular hydrogen (H2) has been proposed as an alternative fuel source for vehicles. Though H2has many benefits, such as clean combustion and the highest known energy density by mass, there are issues in how to store it in a safe and cost effective way. One solution is to store hydrogen in a chemical compound, and gas clathrates (crystalline inclusion compounds) have shown promising results. Pressure provides a powerful means to tune the properties of such compounds and its effects on potential hydrogen storage materials are widely explored. We have recently developed a hydrogen-compatible gas loader for the Paris-Edinburgh press, which enables the loading of high density hydrogen into a clamp with a sample volume suitable for neutron diffraction experiments using the Paris-Edinburgh press [1]. Neutron diffraction is the technique of choice for such materials since it can reveal the location and occupancy of the hydrogen sites. We will present recent data from high-pressure neutron diffraction experiments on hydrogen hydrates as well as other clathrate forming systems like urea and hydroquinone.
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Zhou, Yuanyuan, Qiang Xu, Chunye Zhu, Qian Li, Hanyu Liu, Hui Wang et John S. Tse. « Predicted lithium–iron compounds under high pressure ». RSC Advances 6, no 71 (2016) : 66721–28. http://dx.doi.org/10.1039/c6ra11064a.

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Maniwa, Yutaka, Hirokazu Sakamoto, Hideki Tou, Yuji Aoki, Hideyuki Sato, Fumihiko Shimizu, Hitoshi Kawaji et Sroji Yamanaka. « NMR Studies of Silicon Clathrate Compounds ». Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals 341, no 2 (1 avril 2000) : 497–502. http://dx.doi.org/10.1080/10587250008026188.

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Mesbah, Mohammad, Sanaz Abouali Galledari, Ebrahim Soroush et Masumeh Momeni. « Modeling Phase Behavior of Semi-Clathrate Hydrates of CO2, CH4, and N2 in Aqueous Solution of Tetra-n-butyl Ammonium Fluoride ». Journal of Non-Equilibrium Thermodynamics 44, no 2 (26 avril 2019) : 155–67. http://dx.doi.org/10.1515/jnet-2018-0079.

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AbstractSemi-clathrate hydrates are members of the class of clathrate compounds. In comparison with clathrate hydrates, where the networks are formed only by H2O molecules, the networks of semi-clathrate hydrates are formed by mixtures of H2O and quaternary ammonium salts (QASs). The addition of QASs to the solution enables to improve the formation of semi-clathrate hydrates at much milder conditions comparing to clathrate hydrates. In this work, we study the phase equilibria of semi-clathrate hydrates of CH4, CO2, and N2gas in an aqueous solution of tetra-n-butyl ammonium fluoride (TBAF). An extension of the Chen–Guo model is proposed as a thermodynamic model. The Peng–Robinson equation of state (PREOS) was applied to calculate the fugacity of the gas phase and in order to determine the water activity in the presence of TBAF, a correlation between the system temperature, the TBAF mass fraction, and the nature of the guest molecules has been used. These equations were solved simultaneously and through optimizing tuning parameters via the Nelder–Mead simplex algorithm. The results are compared to experimental data and good agreement is observed.
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Manakov, A. Yu, et S. S. Skiba. « Application of clathrate compounds for hydrogen storage ». Russian Journal of General Chemistry 77, no 4 (avril 2007) : 740–51. http://dx.doi.org/10.1134/s1070363207040354.

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Takasu, Y., T. Hasegawa, N. Ogita, M. Udagawa, M. A. Avila et T. Takabatake. « Raman scattering of type-I clathrate compounds ». Physica B : Condensed Matter 383, no 1 (août 2006) : 134–36. http://dx.doi.org/10.1016/j.physb.2006.03.079.

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Yamanaka, S., H. Kawaji et M. Ishikawa. « Preparation and Superconductivity of Silicon Clathrate Compounds ». Materials Science Forum 232 (novembre 1996) : 103–18. http://dx.doi.org/10.4028/www.scientific.net/msf.232.103.

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Nemoto, Yuichi, Tatsuya Yanagisawa, Yuri Yasumoto, Haruki Kobayashi, Akio Yamaguchi, Seiji Tsuduku, Terutaka Goto et al. « Rattling in Clathrate Compounds of ROs4Sb12and R3Pd20Ge6 ». Journal of the Physical Society of Japan 77, Suppl.A (3 janvier 2008) : 153–58. http://dx.doi.org/10.1143/jpsjs.77sa.153.

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Takasu, Yuichi, Takumi Hasegawa, Norio Ogita, Masayuki Udagawa, Marcos A. Avila, Koichiro Suekuni et Toshiro Takabatake. « Raman Scattering of Type-I Clathrate Compounds ». Journal of the Physical Society of Japan 77, Suppl.A (3 janvier 2008) : 254–56. http://dx.doi.org/10.1143/jpsjs.77sa.254.

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Zhang, Xinyue, Yuhuan Li, Hongfu Wang, Miao Zhang et Yonghui Du. « Superconductivity in (Sr, Ba)B3Si3 clathrate compounds ». Computational Materials Science 233 (janvier 2024) : 112755. http://dx.doi.org/10.1016/j.commatsci.2023.112755.

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Zhang, Wei, Qing Yun Chen, Bin Li, Zhao Yi Zeng et Ling Cang Cai. « First-principles calculations for thermodynamic properties of type-I silicon clathrate intercalated by sodium atoms ». Modern Physics Letters B 29, no 27 (7 octobre 2015) : 1550166. http://dx.doi.org/10.1142/s0217984915501663.

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The ground state properties of the silicon clathrate [Formula: see text] intercalated by alkali metal sodium atoms [Formula: see text] are investigated by first-principle methods. Birch–Murnaghan equation of state is fitted to two sets of the [Formula: see text]–[Formula: see text] data calculated by density functional theory based on the plane-wave basis set within both the local density approximation (LDA) and the generalized gradient approximation (GGA). Through quasi-harmonic Debye model, some thermodynamic properties comprise the heat capacity, the thermal expansion coefficient, Debye temperature and the Grüneisen parameter for this clathrate compounds [Formula: see text] are obtained, which agree well with experimental results. Comparing the calculated heat specific in two ways with experimental results, we find that it is more accurate to describe the “rattle” modes of gust Na atoms in the cages as Einstein oscillators. Moreover, the effects of high pressure on these thermodynamic properties are also investigated which will be very helpful for a synthesis of these clathrate compounds in experiments under high pressure and high temperature condition.
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Courville, Samuel W., Julie C. Castillo-Rogez, Mohit Melwani Daswani, Elodie Gloesener, Mathieu Choukroun et Joseph G. O’Rourke. « Timing and Abundance of Clathrate Formation Control Ocean Evolution in Outer Solar System Bodies : Challenges of Maintaining a Thick Ocean within Pluto ». Planetary Science Journal 4, no 9 (1 septembre 2023) : 179. http://dx.doi.org/10.3847/psj/acf377.

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Abstract Clathrate hydrates may represent a sizable fraction of material within the icy shells of Kuiper Belt objects and icy moons. They influence the chemical and thermal evolution of subsurface oceans by locking volatiles into the ice shell and by providing more thermal insulation than pure water ice. We model the formation of these crystalline compounds in conditions relevant to outer solar system objects, using Pluto as an example. Although Pluto may have hosted a thick ocean in its early history, Pluto’s overall heat budget is probably insufficient to preserve liquid today if its outer shell is pure water ice. One previously proposed reconciliation is that Pluto’s ocean has a winter jacket: an insulating layer of methane clathrate hydrates. Unfortunately, assessments of the timing, quantity, and type of clathrate hydrates forming within planetary bodies are lacking. Our work quantifies the abundance of clathrate-forming gases present in Pluto’s ocean from accreted ices and volatiles released during thermal metamorphism throughout Pluto’s history. We find that if Pluto formed with the same relative abundances of ices found in comets, then a buoyant layer of mixed methane and carbon dioxide clathrate hydrates may form above Pluto’s ocean, though we find it insufficient to preserve a thick ocean today. In general, our study provides methodology for predicting clathrate formation in ocean worlds, which is necessary to predict the evolution of the ocean’s composition and whether a liquid layer remains at present.
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Kuznetsov, V. L., L. A. Kuznetsova, A. E. Kaliazin et D. M. Rowe. « Preparation and thermoelectric properties of A8IIB16IIIB30IV clathrate compounds ». Journal of Applied Physics 87, no 11 (juin 2000) : 7871–75. http://dx.doi.org/10.1063/1.373469.

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Hashizume, D., H. Uekusa, Y. Ohashi, R. Matsukawa, K. Miyamoto et F. Toda. « Structures of isomorphous clathrate compounds of α-oxamide ». Acta Crystallographica Section A Foundations of Crystallography 49, s1 (21 août 1993) : c170. http://dx.doi.org/10.1107/s0108767378095136.

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Olejniczak, Anna, Anna Katrusiak, Marcin Podsiadło et Andrzej Katrusiak. « Crystal design by CH...N and N...N interactions : high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds ». Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 76, no 6 (20 novembre 2020) : 1136–42. http://dx.doi.org/10.1107/s2052520620014493.

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High-nitrogen-content compounds 6-azido-1,2,4-triazolo[4,3-b]pyridazine (C5H3N7) and its 3-methyl derivative (C6H5N7) have been in situ crystallized in a diamond-anvil cell and their structures determined by single-crystal X-ray diffraction. Under ambient and high-pressure conditions the crystallizations yield the same phases: the C5H3N7 anhydrate and C6H5N7 hydrated clathrate. In both the structures there are clearly distinguished regions of short CH...N and N...N intermolecular contacts, the latter involving exclusively the azide groups. High pressure initially increases the contents of water in the channel pores of the clathrate.
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Cao, Xiaoxiao, Yingying Huang, Wenbo Li, Zhaoyang Zheng, Xue Jiang, Yan Su, Jijun Zhao et Changling Liu. « Phase diagrams for clathrate hydrates of methane, ethane, and propane from first-principles thermodynamics ». Physical Chemistry Chemical Physics 18, no 4 (2016) : 3272–79. http://dx.doi.org/10.1039/c5cp06570d.

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Natural gas hydrates are inclusion compounds composed of major light hydrocarbon gaseous molecules (CH4, C2H6, and C3H8) and a water clathrate framework.
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Michalski, Darek, Mary Anne White, Pradip K. Bakshi, T. Stanley Cameron et Ian Swainson. « Crystal structure and thermal expansion of hexakis(phenylthio)benzene and its CBr4 clathrate ». Canadian Journal of Chemistry 73, no 4 (1 avril 1995) : 513–21. http://dx.doi.org/10.1139/v95-066.

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The crystal structures of hexakis(phenylthio)benzene (HPTB) and its CBr4 clathrate have been determined by single crystal X-ray diffraction data collected at T = 18 °C and refined to final Rw of 0.036 and 0.047, respectively. Pure HPTB is triclinic, space group [Formula: see text] (No. 2), with a = 9.589(2) Å, b = 10.256(1) Å, c = 10.645(2) Å, α = 68.42(1)°, β = 76.92(2)°, γ = 65.52(1)°, and Z = 1. The CBr4 clathrate of HPTB is rhombohedral, space group [Formula: see text] (No. 148), with a = 14.327(4) Å, b = 20.666(8) Å, and Z = 3. The host–guest mole ratio of HPTB–CBr4 is 1:2. Neutron powder diffraction was carried out on powders of both compounds in the temperature range 25 K < T < 295 K. Thermal expansion coefficients were determined for HPTB and HPTB–CBr4 over this temperature range. Keywords: thermal expansion, crystal structure, clathrate.
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29

Lucken, E. A. C., et D. Rupp. « Nuclear quadrupole resonance investigations of clathrate compounds : I. The35Cl resonance ofp-dichlorobenzene in various clathrate systems ». Journal of Inclusion Phenomena 3, no 2 (juin 1985) : 157–61. http://dx.doi.org/10.1007/bf00687989.

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Kim, Chang Oh, Jin Heung Kim et Nak Kyu Chung. « A Study on Supercooling Characteristics of Clathrate Compounds with Concentration of TMA ». Materials Science Forum 544-545 (mai 2007) : 645–48. http://dx.doi.org/10.4028/www.scientific.net/msf.544-545.645.

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Ice storage system that water is used as low temperature latent heat storage material, refrigerator capacity is increased and COP is decreased because refrigerator is operated at low temperature due to supercooling of water in the course of phase change from solid to liquid. This study is investigated the cooling characteristics of the TMA-water clathrate compound including TMA (Tri-methyl-amine, (CH3)3N) of 20~25 wt% as a low temperature latent heat storage material at -5°C, cooling source temperature. The results showed that the phase change temperature, the specific heat is increased and the supercooling degree is decreased as the weight concentration of TMA became higher. Especially, low temperature latent heat storage material containing TMA 25 wt% has the average of phase change temperature of 5.8°C, supercooling degree of 8.0°C and specific heat of 4.099kJ/kgK in the cooling process. Phase change temperature higher than that of water and inhibitory effect against supercooling can be confirmed through experimental study on cooling characteristics of TMA-water clathrate compound.
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31

Shimizu, F., Y. Maniwa, K. Kume, H. Kawaji, S. Yamanaka et M. Ishikawa. « NMR in the silicon clathrate compounds NaxBaySi46 and NaxSi136 ». Synthetic Metals 86, no 1-3 (février 1997) : 2141–42. http://dx.doi.org/10.1016/s0379-6779(97)81066-1.

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32

Plumridge, T. H., G. Steele et R. D. Waigh. « Predicting formation of hydrate inclusion compounds : Furan clathrate hydrate ». Journal of Pharmacy and Pharmacology 50, S9 (septembre 1998) : 239. http://dx.doi.org/10.1111/j.2042-7158.1998.tb02439.x.

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Nozue, Yasuo, Gentaro Hosaka, Eiji Enishi et Shoji Yamanaka. « Optical Reflection Spectra of Silicon Clathrate Compounds Ba8AgxSi46−x ». Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals 341, no 2 (1 avril 2000) : 509–14. http://dx.doi.org/10.1080/10587250008026190.

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34

KUME, Tetsuji. « Raman Studies of Silicon Clathrate Compounds under High Pressure ». Review of High Pressure Science and Technology 14, no 2 (2004) : 167–72. http://dx.doi.org/10.4131/jshpreview.14.167.

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35

Gryko, Jan, Paul F. McMillan et Otto F. Sankey. « NMR studies of Na atoms in silicon clathrate compounds ». Physical Review B 54, no 5 (1 août 1996) : 3037–39. http://dx.doi.org/10.1103/physrevb.54.3037.

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36

Gavrilova, G. V., N. V. Kislykh et V. A. Logvinenko. « Study of the thermal decomposition processes of clathrate compounds ». Journal of Thermal Analysis 33, no 1 (mars 1988) : 229–35. http://dx.doi.org/10.1007/bf01914605.

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37

Nohako, Kanyisa L., Priscilla GL Baker et Emmanuel I. Iwuoha. « Organic Clathrate Compounds as Suitable Transducers in Electrochemical Sensing ». International Journal of Electrochemical Science 10, no 9 (septembre 2015) : 6959–74. http://dx.doi.org/10.1016/s1452-3981(23)17322-6.

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38

Sidhu, Paul S., Jason Bell, Glenn H. Penner et Kenneth R. Jeffrey. « A deuterium NMR study of guest molecular dynamics of acetone in two organic inclusion compounds ». Canadian Journal of Chemistry 73, no 12 (1 décembre 1995) : 2196–207. http://dx.doi.org/10.1139/v95-273.

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Deuterium nuclear magnetic resonance (NMR) spectra and spin-lattice relaxation times (T1) are used to investigate the dynamics of the guest molecule, acetone, in tris(5-acetyl-3-thienyl)methane (TATM) and cyclotriveratrylene (CTV) inclusion compounds. 13C CPMAS powder NMR spectra were obtained for each clathrate, to verify inclusion. In acetone: TATM, the guest molecule is undergoing twofold reorientation about the CO bond, exchanging the two methyl groups. An activation energy of 20 (± 1.4) kJ/mol, for the two-site jump motion, was found, independently, from deuterium NMR spectra an T1 measurements. Acetone in CTV performs the same type of motion as acetone in TATM. Activation energies of 25.0 (± 3.2) kJ/mol and 24.1 (± 0.5) kJ/mol were determined using the same two techniques. both inclusion compounds, the rate of methyl rotation within the acetone molecule is greater than 108 Hz even at the lowest temperature measured (84 K). Analytical expressions for the spin-lattice relaxation time (T1), for a twofold jump, were derived. Calculated values of the effective quadrupolar coupling constant and T1min for the guests agree very well with the experimental data. The 84 K spectrum of acetone:TATM unexpectedly shows some asymmetry, the origin of which is discussed. Finally, these two clathrates are compared to the recently examined acetone: tri-ortho-thymotide inclusion compound. Key words: inclusion compounds, deuterium NMR, solid state NMR spectroscopy, molecular dynamics.
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39

Davies, J. Eric D., et Vivienne A. Tabner. « Clathrate and inclusion compounds. Part 11 [1]. A pre-resonance Raman study of the ?-quinol/SO2 clathrate ». Journal of Inclusion Phenomena and Molecular Recognition in Chemistry 11, no 4 (décembre 1991) : 389–96. http://dx.doi.org/10.1007/bf01041416.

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Saito, Susumu. « Electronic Structure of Clathrate Compounds, Amorphous Silicon, and Si20 Cluster. » Materia Japan 37, no 7 (1998) : 601–5. http://dx.doi.org/10.2320/materia.37.601.

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Uemura, Takashi, Koji Akai, Kenji Koga, Terumitsu Tanaka, Hiroki Kurisu, Setsuo Yamamoto, Kengo Kishimoto, Tsuyoshi Koyanagi et Mitsuru Matsuura. « Electronic structure and thermoelectric properties of clathrate compounds Ba8AlxGe46−x ». Journal of Applied Physics 104, no 1 (juillet 2008) : 013702. http://dx.doi.org/10.1063/1.2947593.

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Horie, Hiro-omi, Takashi Kikudome, Kyosuke Teramura et Shoji Yamanaka. « Controlled thermal decomposition of NaSi to derive silicon clathrate compounds ». Journal of Solid State Chemistry 182, no 1 (janvier 2009) : 129–35. http://dx.doi.org/10.1016/j.jssc.2008.10.007.

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43

Fukuoka, Hiroshi, Junichi Kiyoto et Shoji Yamanaka. « Superconductivity of Metal Deficient Silicon Clathrate Compounds, Ba8-xSi46(0 ». Inorganic Chemistry 42, no 9 (mai 2003) : 2933–37. http://dx.doi.org/10.1021/ic020676q.

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44

Takasu, Y., T. Hasegawa, N. Ogita, M. Udagawa, M. A. Avila et T. Takabatake. « Raman scattering study of type-I clathrate compounds : (, Sr, Ba) ». Journal of Magnetism and Magnetic Materials 310, no 2 (mars 2007) : 954–56. http://dx.doi.org/10.1016/j.jmmm.2006.10.161.

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Lee, Jong-Won, Pratik Dotel, Jeasung Park et Ji-Ho Yoon. « Separation of CO2 from flue gases using hydroquinone clathrate compounds ». Korean Journal of Chemical Engineering 32, no 12 (18 août 2015) : 2507–11. http://dx.doi.org/10.1007/s11814-015-0101-3.

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46

Bishop, Roger. « Design of Clathrate Compounds that Use Only Weak Intermolecular Attractions ». Australian Journal of Chemistry 65, no 10 (2012) : 1361. http://dx.doi.org/10.1071/ch12038.

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Intermolecular attractive forces that are considerably weaker than hydrogen bonding and coordination complexation may be used in the design of new molecules that function as host molecules in the solid-state. Known literature examples of accidentally discovered hosts (clathrands), which do not involve strong interactions in their crystals, are identified and discussed. Their molecular symmetry and supramolecular interactions are analysed in order to identify structural features that facilitate and promote molecular inclusion. The solid-state properties of a family of designed compounds that embody these principles are then described. Prediction of their inclusion behaviour was 95 % successful and a wide variety of crystal packing arrangements were encountered. This is an inevitable consequence of competition between many different molecular interactions of comparable energy during the crystallisation process. The lowest energy combination of these host–host and host–guest associations generates the observed outcome. One consequence of this behaviour is that detailed prediction of a new clathrate crystal packing arrangement is extremely difficult. However, a second consequence is that crystal structure analysis provides a rich source of information about weak intermolecular forces and new supramolecular synthons that previously had remained hidden.
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47

Koga, K., K. Suzuki, M. Fukamoto, H. Anno, T. Tanaka et S. Yamamoto. « Electronic Structure and Thermoelectric Properties of Si-Based Clathrate Compounds ». Journal of Electronic Materials 38, no 7 (4 mars 2009) : 1427–32. http://dx.doi.org/10.1007/s11664-009-0730-6.

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Liu, Yi, Li-Ming Wu, Long-Hua Li, Shao-Wu Du, John D Corbett et Ling Chen. « The Antimony-Based Type I Clathrate Compounds Cs8Cd18Sb28 and Cs8Zn18Sb28 ». Angewandte Chemie International Edition 48, no 29 (17 juin 2009) : 5305–8. http://dx.doi.org/10.1002/anie.200806158.

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Liu, Yi, Li-Ming Wu, Long-Hua Li, Shao-Wu Du, John D Corbett et Ling Chen. « The Antimony-Based Type I Clathrate Compounds Cs8Cd18Sb28 and Cs8Zn18Sb28 ». Angewandte Chemie 121, no 29 (17 juin 2009) : 5409–12. http://dx.doi.org/10.1002/ange.200806158.

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Davies, J. Eric D., et Vivienne A. Knott. « Clathrate and inclusion compounds. Part 10 [1]. Solid state 13C NMR studies of inclusion compounds ». Journal of Molecular Structure 174 (mai 1988) : 229–34. http://dx.doi.org/10.1016/0022-2860(88)80162-5.

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