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1.
Ziya Kantarci Celal Bayrak 《Journal of inclusion phenomena and macrocyclic chemistry》1998,30(1):59-68
IR spectra of Mn(trimethylenediamine)Zn(CN)42C6H6 and IR and Raman spectra of Zn(trimethylenediamine)Zn(CN)4_2C6H6 are reported. The spectral data suggest that the host frameworks of these compounds are similar to those of the tn-Td-type Cd(trimethylenediamine)M(CN)4_2benzene (M = Cd or Hg) and the chelated pn-Td-type Cd(propylenediamine)Cd(CN)4_1,2-dichloro-ethane clathrates, respectively. 相似文献
2.
P. Ramachandra T. Siva Rama Krishna Gautam R. Desiraju 《Journal of Chemical Sciences》1989,101(4):327-334
The compound 3-hydroxy-6-(4′-nitro)phenylazopyridine (1) was observed to incorporate several organic solvents of crystallisation, forming stable clathrates. These clathrates decompose
upon heating and the host material is chemically transformed. Single crystal X-ray diffraction studies on the ethanol clathrate
lead to a reasonable model for the host structure. But the guest molecules are severely disordered. Alternatively, the compound
forms twinned crystals. The chemically closely related compound2 does not form clathrates. 相似文献
3.
ERGÜN KASAP SÜLEYMAN ÜZCELÍK 《Journal of inclusion phenomena and macrocyclic chemistry》1997,28(3):259-267
IR spectra of M(1,4-diaminobutane)Ni(CN)4° 1.5C6H6 (M = Mn, Fe, or Co), and IR and Raman spectra of M(1,4-diaminobutane)Ni(CN)4° 1.5C6H6 (M = Ni or Cd) clathrates are reported. The spectral features suggest that the compounds are similar in structure to the Hofmann-dabn-type clathrates. 相似文献
4.
The stoichiometry of thermal decomposition has been studied for (I): [Ni(4-EtPy)4(NCS)2] as a host complex as well as for its clathrates [Ni(4-EtPy)4(NCS)2]·G where guest molecule G - toluene, (II): T, (III): o-xylene (o-X) and (IV): p-xylene (p-X). The loss of volatile components proceeds in three steps (−2L, −1L, −1L) for I and in four steps (−G, −2L, −1L, −1L) for II, III and IV. DSC and X-ray powder measurements indicated a phase transition in all compounds under study. However, this process is overlapped by the escape of G in II and III. The differences in enthalpy changes are associated with different guest-host interactions in the particular clathrates. 相似文献
5.
D.C. LiL. Fang S.K. DengK.Y. Kang L.X. ShenW.H. Wei H.B. Ruan 《Physica B: Condensed Matter》2012,407(8):1238-1243
The total energy and electronic structures for type-I (β phase) and type-VIII (α phase) Ba8Ga16Sn30 clathrates under hydrostatic pressure have been investigated using density functional theory (DFT) calculations. It was found that the type-VIII phase is more stable than the type-I one at ambient conditions and that β→α phase transition can not occur under hydrostatic pressure. The band structures show that the type-I and type-VIII Ba8Ga16Sn30 are indirect semiconductors with band gaps of 0.24 eV and 0.19 eV, respectively. The results suggested that type-I clathrate Ba8Ga16Sn30 has a larger value of the thermoelectric (TE) power than that of type-VIII clathrate. We found that pressure tuning changes the k-point of conduction band minimum (CBM) in the Brillouin zone for β-phase, but it is not the case for α-phase. Furthermore, the results show that the pressure can change the interaction between guest atoms and the host lattice, and consequently results in the decrease of the band gap of β-phase and the increase of the band gap of α-phase, indicating that the pressure effect can play an important role in the magnitude of the TE power. 相似文献
6.
Inclusion compounds were formed with 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol (H) and carbon tetrachloride, chloroform, dichloromethane and acetonitrile. 1 (H·1/2CCl4), 2 (H·1/2CHCl3) and 3 (H·1/2CH2Cl2) are true clathrates with the guest molecules situated in cages created by the host. 4 (H·2CH3CN) exhibits a different packing arrangement with the guest molecules located in channels. The crystal structures and stability of these inclusion compounds were investigated. 相似文献
7.
We have used X-ray absorption spectroscopy (XAS) to investigate the local structure of Cu and Ge in the Cs8Na16Cu5Ge131 type II clathrate. We show that the local structure parameters for Ge (coordination number and distances) are consistent with those derived on the basis of XRD investigation of Cs8Na16Ge136. The EXAFS data suggest that Cu either randomly substitutes for Ge on the clathrate framework or preferentially on the 96g site but not preferentially on the 32e or 8a sites (Wyckoff notation). Furthermore, we find that the Cu-Ge distance is smaller than the Ge-Ge distance by 0.13 Å, indicating a local distortion around the Cu atoms. The estimated degrees of disorder for Cu-Ge and Ge-Ge interactions indicate the Cu-Ge clathrate framework to be relatively stiff, while those for Na-Ge and Cs-Ge interactions corroborate previous observations of strong thermal disorder of the alkali guests in these materials. Our XAS results offer insight into the site substitution of Cu in this material, information unattainable from X-ray diffraction due to the lack of scattering contrast between Cu and Ge. 相似文献
8.
Stefan Laumann Matthias Ikeda Herbert Sassik Andrey Prokofiev Prof. Dr. Silke Paschen 《无机化学与普通化学杂志》2012,638(2):294-301
Intermetallic clathrates are promising materials for thermoelectric applications. This is not only due to their low thermal and high electrical conductivities (“phonon glass – electron crystal”) but also due to the expectation that they are semiconductors and thus have large thermopower values. Band structure calculations of the stoichiometric compound Eu8Ga16Ge30 indeed yield a semiconducting ground state. However, with conventional synthesis methods the exact 8:16:30 stoichiometry could not be reached. Herein we use the melt‐spinning technique to obtain Eu8Ga16–xGe30+x samples with smaller x than previously realized. The quenching procedure and the results of the characterization of the quenched phases by X‐ray powder diffraction and electron microscopy are presented. The electrical resistivity shows that, in contrast to conventional synthesis procedures, semiconducting compounds can be produced. 相似文献
9.
Sevim Akyüz Ayşen Erbolukbas Ozel J. Eric D. Davies Meriç Bakiler 《Journal of inclusion phenomena and macrocyclic chemistry》1996,26(1-3):103-109
The IR and Raman spectra of Cd(2,2-bipy)Ni(CN)4 and Ni(2,2-bipy)3Ni(CN)4·6H2O.0.5 (2,2-bipy) complexes are reported. The spectral results indicate the existence of structure spectra correlations.Presented at the Sixth International Seminar on Inclusion Compounds, Istanbul, Turkey, 27–31 August, 1995. 相似文献
10.
Phase equilibria for the CH4 + CO2 + H2O system have been investigated in the past, but mole fraction of methane and carbon dioxide in the bulk liquid phase has not been measured under hydrate–liquid–vapor equilibrium. Equilibrium liquid composition is very important as it defines the driving force for hydrate growth. This study presents the solubility of methane and carbon dioxide under H–Lw–V equilibrium. Emphasis is made on the effect of pressure along the respective isotherms on the equilibrium mole fraction of the individual hydrate formers in the liquid. 相似文献