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1.
J. Umemura 《Journal of Molecular Structure》1977,36(1):35-54
Temperature dependence of the IR spectra of crystalline propionic acid were examined in the temperature range 242–50 K. The intensities of most absorption bands increased on lowering the temperature, but some bands diminished until they disappeared at temperatures lower than about 120 K. Normal coordinate analyses indicate that the former bands are due to the stable cis dimer and the latter due to the less stable trans dimer which would be produced from the cis dimer by simultaneous proton transfer along two hydrogen bonds. 相似文献
2.
V. G. Berezkin V. R. Alishoyev E. N. Victorova V. S. Gavrichev V. M. Fateeva 《Chromatographia》1982,16(1):126-131
Summary The use of crystallohydrates, crystallohydrate solutions and melts as stationary phases in gas chromatography has been proposed. Crystallohydrates have been shown to display high selectivity in the separation of polar organic compounds when use is made of water vapours as the mobile phase. Some aspects of gas-liquid chromatography in water vapours and with the stationary phase comprising crystallohydrates have been studied, and the preliminary results obtained point to the desirability of further progress in this field.Presented at the 14th International Symposium on Chromatography London, September, 1982 相似文献
3.
Alkaline Metal Arsenides A3As11 (A = Rb, Cs): Preparation and Crystal Structures Rb3As11 and Cs3As11 were synthesized from the elements and the crystal structures of the ordered room temperature form were characterized via single crystal x‐ray studies. In the Zintl phases the As atoms form chiral ufosan‐anions As with As‐As distances ranging from 238 to 248 pm. Like K3As11 Rb3As11 crystallizes with the Na3P11 structure type (orthorhombic, space group Pbcn, a = 1108.2(2), b = 1533.5(3), c = 1060.1(2) pm, Z = 4), whereas the Cs compound (monoclinic, space group C2/c, a = 1324.5(7), b = 1524.5(9), c = 1937.2(11) pm, β = 95.29(1)°, Z = 8) forms a new structure type. The crystallographic relationship between the two structure types and the anion packings in the plastic crystalline high temperature forms are discussed. 相似文献
4.
M. Gaboyard Y. Hervaud B. Boutevin 《Phosphorus, sulfur, and silicon and the related elements》2013,188(4):877-891
Long-chain dialkyl alkylphosphonates were synthesized by radical addition of dialkyl hydrogenphosphonates onto alkenes in presence of di(t-butyl) peroxide. This synthetic route leads to high yields between 94 and 97%. We performed chemical modifications of these phosphonates in order to obtain acidic derivatives. The structure of these compounds was characterized by NMR analyses and mass spectroscopy. We also studied their thermal behaviour and various crystalline phases were put in evidence by differential scanning calorimetry and optical microscopy. The thermal stability of these compounds was compared by thermogravimetric analyses. 相似文献
5.
分子动力学(MD)模拟常采用径向分布函数(RDF)、Honeycutt-Anderson (HA)键型指数法、原子团类型指数法(CTIM)表征物相的微观结构. 本文依据CTIM 理论, 对CTIM 进一步发展, 使CTIM 不仅能够表征bcc\fcc\hcp\非晶体, 也能表征其它晶系的晶体结构. 本文采用CTIM 完成Zn-Mg 合金标准晶体的结构表征和Zn-Mg扩散体系物相分布的分析. 结果表明: 合金组元的CTIM指数不仅反映了Mg21Zn25、MgZn2、Mg2Zn11晶体结构的差异, 也说明了Mg4Zn7、MgZn2晶体结构十分相近. Zn-Mg扩散体系两步法模拟后, 体系两端交替分布着hcp 与fcc 结构; 体系中部形成大量的非晶体; Zn原子端交替分布着hcp 与fcc 结构的界面区域主要是Zn12-C类原子. 相似文献
6.
F. Kyriazis A. Chrissanthopoulos V. Dracopoulos M. Krbal T. Wagner M. Frumar S.N. Yannopoulos 《Journal of Non》2009,355(37-42):2010-2014
We report on the structural details and microphase separation of the bulk glasses Agx·(As33S67)100-x for 0x25. Glass–glass phase separation occurs over a wide range of Ag content, i.e. 4x20. An off-resonant polarized Raman spectroscopic study has been carried out to elucidate structural aspects at the short- and medium-range structural order of the glasses. Analysis of Raman spectra revealed quantitative changes of the sulfur-rich microenvironments that reduce upon adding Ag. Scanning electron microscopy combined with X-rays microanalysis have been utilized to examine the type and extent of phase separation, and to provide quantitative details on the atomic concentrations in the Ag-poor and Ag-rich phases. It has been shown that at 7 at.% Ag the Ag-rich phase percolates through the structure; this effect can be associated with an ionic-to-superionic behavior of these glasses in accordance with similar studies on the stoichiometric arsenic sulfide glass; although the phase separation observed in the present glasses is qualitatively different. 相似文献
7.
J.-B. Liu J.-H. Li X.-Y. Lü A. Zheng 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2007,44(3):601-606
In this paper, we investigate the geometric phase of a composite system which is composed of two spin-
particles driven by a
time-varying magnetic field. Firstly, we consider the special case that only one subsystem driven by time-varying magnetic
field. Using the quantum jump
approach, we calculate the geometric phase associated with the adiabatic evolution of the system subjected to decoherence.
The results show that the lowest
order corrections to the phase in the no-jump trajectory is only quadratic in decoherence coefficient. Then, both subsystem
driven by time-varying magnetic
field is considered, we show that the geometric phase is related to the exchange-interaction coefficient and polar angle of
the magnetic field. 相似文献
8.
The phase diagram of the model of spinless fermions with repulsive nearest neighbour interaction is calculated analytically on a hypercubic lattice in infinite dimensions (d → ∞). In spite of its simplicity the model displays a rich phase diagram depending on the doping δ, the interaction U and the temperature T. The system can be in the homogeneous phase (HOM), the nonsegregated AB charge density wave (AB-CDW), the AB phase separation region (PS-AB/HOM; coexistence of AB-CDW and HOM), the incommensurate phase (IP) or the IP phase separation region (PS-AB/IP; coexistence of AB-CDW and IP). We identify three important values of the interaction UIPL = 0.572 < UIPH = 1.914 < UIP/PS = 4.212 which distinguish four intervals of U. These imply four different types of phase diagrams. In all the three phase diagrams with U below UIP/PS the IP appears. We propose a new general ansatz for the order parameter of this phase. A competition between the IP, the PS-AB/IP and the PS-AB/HOM is found. The relevance of our findings for the phase scenario of the Hubbard model is shown. 相似文献
9.
From the thermodynamical, optical texture and dielectric studies of the binary mixtures of 3β-chloro-5-cholestene (ChCl) and 4-n-decyloxybenzoic acid (DOBA), the phase diagram has been drawn. It has been observed that low concentrations of ChCl (1 to 7 mol%) in DOBA induce various types of twisted grain boundary (TGB) submesophases, whereas higher concentrations induce a smectic A (SmA) mesophase. Various optical textures of the TGB phases under different conditions of molecular anchoring have been observed. Weak transitions related with TGB phases have been detected from the temperature dependence of dielectric permittivity. The observed phase diagram of ChCl-DOBA binary system is in complete conformity with the theoretically predicted mean-field phase diagram derived by Renn within the framework of the chiral Chen-Lubenski model 相似文献
10.
Dr. Greggory T. Kent Emily Morgan Kaitlin R. Albanese Dr. Anna Kallistova Dr. Alexandra Brumberg Linus Kautzsch Dr. Guang Wu Prof. Pratap Vishnoi Prof. Ram Seshadri Prof. Anthony K. Cheetham 《Angewandte Chemie (International ed. in English)》2023,62(32):e202306000
Halide double perovskites [A2MIMIIIX6] are an important class of materials that have garnered substantial interest as non-toxic alternatives to conventional lead iodide perovskites for optoelectronic applications. While numerous studies have examined chloride and bromide double perovskites, reports of iodide double perovskites are rare, and their definitive structural characterization has not been reported. Predictive models have aided us here in the synthesis and characterization of five iodide double perovskites of general formula Cs2NaLnI6 (Ln=Ce, Nd, Gd, Tb, Dy). The complete crystal structures, structural phase transitions, optical, photoluminescent, and magnetic properties of these compounds are reported. 相似文献