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Showing 1 to 20 of 28 for “"clathrates"”.
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Structures of Werner clathrates
… 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 …
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Structures of Werner clathrates
The structures of two new Werner clathrates have been elucidated by X-ray diffraction. Ni(NCS) 2(c6 Hf) 2(c11ttgN) 2.methyl cello solve is monoclinic with a= 10,648(5), b = 23,005(12), a= 16,294(8).R, S = 98,04(2) 0 , Z = 4 and the space group C2/0 • The guest, methyl cello solve is disordered and …
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Structures of Werner clathrates
… to elucidate the structures of two new Werner clathrates. ... The chloroform molecule is disordered, lying on a two-fold axis. Stoicheiometric characterization of the clathrates was determined using various chemical techniques, including mass spectroscopy, proton nuclear magnetic resonance and …
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Werner clathrates: structure and selectivity
The development of enhanced selectivity of a host towards (aromatic) isomers continues to be an important feature in supramolecular studies. In this thesis, several nickel Werner complexes have been synthesised and used as crystallographic hosts with inclusions of aromatic isomers, polycyclic …
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Selective criteria in Werner clathrates
… 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 …
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A study of liquid clathrates
… clathrate systems. The stoicheiometry of the clathrates was investigated by various chemical methods including: thermogravimetric analysis, differential thermal analysis and proton nuclear magnetic resonance spectroscopy.
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Structure-activity relationships in Werner clathrates
… 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. …
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Werner clathrates with potential chiral selectivity : preliminary investigations
The structures of the Werner clathrate Ni(NCS)₂(α-phenylethylamine)₄, as host complex made from enantiomerically pure amine ligand and from the racemic mixture, as well as its clathrate with sec-butylbenzene have been determined by x-ray diffraction.
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Configurational properties of water clathrates through molecular simulation
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemical Engineering, 1991.
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A study of secondary bonding effects in Werner clathrates
… clathrate of the same host, and both these clathrates have a similar packing to the carbon tetrachloride clathrate. There is significant secondary bonding between the sulphur (donor) of the isothiocyanate ligand of the host and the iodines (acceptor) of the halogenated guest molecules in …
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Structures and thermal analyses of Werner clathrates and coordination polymers
… here. The crystal structures of twelve Werner clathrates and four coordination polymers were solved using single crystal x-ray diffraction techniques. In addition, all compounds were characterised by thermal analysis techniques, including differential scanning calorimetry, thermogravimetry and …
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The formation of cyanoborate liquid clathrates with water or cresol as promoters
… guest-host combinations which do not form liquid clathrates without a promoter. The validity of the conventional definition of liquid clathrates was probed with respect to the absence of host in the excess guest layer and with respect to the fixed maximum guest to host ratio. A model which allows …
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Molecular modeling of hydrate-clathrates via ab initio, cell potential, and dynamic methods
High level ab initio quantum mechanical calculations were used to determine the intermolecular potential energy surface between argon and water, corrected for many- body interactions, to predict monovariant and invariant phase equilibria for the argon hydrate and mixed methane-argon hydrate …
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The structure and rheological properties of liquified natural gas gelled with water and methanol clathrates
Thesis. 1977. Ph.D.--Massachusetts Institute of Technology. Dept. of Chemical Engineering.
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Ab initio Study of Atomic Dynamics and Thermal Properties of Inorganic Clathrates, Chalcogenides and Perovskite Oxides
… types of inorganic materials, namely inorganic clathrates, chalcogenides and perovskite oxides. Inorganic clathrates are promising candidates for thermoelectric applications due to their low thermal conductivity. In order to test approaches that improve the thermoelectric figure of merit of the …
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6,6’-Dimethoxygossypol: Molecular Structure, Crystal Polymorphism, and Solvate Formation.
… has been shown to form an abundant number of clathrates with a large variety of compounds. One of the primary reasons why gossypol can form clathrates has been because of its ability to from extensive hydrogen bonding networks due to its hydroxyl and aldehyde functional groups. Prior to this …
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Experimental and theoretical investigation of novel phase change materials for thermal applications
… behaviour and characteristics of R134a clathrates with additives, as phase change materials (PCMs). PCMs’ charging characteristics are analysed and evaluated for cooling applications. The formation of refrigerant clathrates is investigated due to their potential use in active as well as …
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