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261.
A. D. Vasil’ev N. N. Golovnev M. S. Molokeev T. D. Churilov 《Journal of Structural Chemistry》2005,46(2):363-370
Synthesis of a complex formed by ciprofloxacin (cfH) and copper(II) chloride is described; its crystal structure is reported and analyzed in comparison to related compounds. The obtained compound (cfH3)CuCl4·H2O (cfH 3 2+ — double protonated cfH molecule) crystallizes as platelets of P21/c symmetry having the unit cell parameters a = 13.491(1) Å, b = 11.0459(7) Å, c = 16.299(1) Å; β = 111.392(7)°. Carbonyl oxygen O(1) is protonated, and hydrogen atom combined with it forms an intramolecular hydrogen bond with carboxylic O(2) oxygen (O(1)?O(2) = 2.642(5) Å). Terminal nitrogen atom N(3) of the piperazinyl group is also protonated, and two its hydrogen atoms participate in hydrogen bonds of N-H?Cl type. The structure also has hydrogen bonds O-H?O, O-H?Cl with the participation of water molecules which occupy hydrophilic channels. Molecular ions cfH 3 2+ make couples with intrapair π?π interactions. 相似文献
262.
O. V. Grineva 《Journal of Structural Chemistry》2007,48(4):753-758
The density and sound velocity were measured within wide ranges of temperature for a number of liquids (water, formamide, diols, aliphatic alcohols, cellosolves, ketones), in which various types of H-associate can exist. The temperature dependences of the adiabatic and molar adiabatic compressibility, density, and molar volume are analyzed. The values of the molar adiabatic compressibility permit one to evaluate the dimensionality of H-associates existing in liquids; the values of adiabatic compressibility do not offer this possibility. The terms responsible for the similarity and difference between H-associates in crystals and liquids are discussed. 相似文献
263.
V. V. Sharutin O. K. Sharutina L. G. Mel'nikova G. K. Fukin L. N. Zakharov A. I. Yanovsky Yu. T. Struchkovdt 《Russian Chemical Bulletin》1996,45(8):1977-1980
Tetraphenylantimony hydrogen phthalate, Ph4SbOC(O)C6H4000H-o, was prepared by the reaction of pentaphenylantimony with phthalic acid. According to the data of X-ray structural analysis, the resulting compound is a trigonal-bipyramidal complex of antimony with three phenyl groups in equatorial positions; the fourth phenyl group and the carboxyl fragment are in axial positions. The CSbO angle is 177.5(1)° the Sb-C(Ph)eq and Sb-C(Ph)ax distances are 2.099(4)-2.177(4) A and 2.129(4) A, respectively. The H atom of the free carboxyl group and the carbonyl O atom of another carboxylate group form an intramolecular hydrogen bond.DeceasedTranslated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 2082–2085, August, 1996. 相似文献
264.
研究了直流电场对含LiClO4的聚氧化乙烯(PEO)400与环氧树脂形成的液晶态互穿网络高分子忆禽子导体的电导率的影响。在室温至90℃范围内,电导率随外加电压增加面降低。外加电压越高,对电导率变化的影响越大。 相似文献
265.
266.
Sonia E. Blanco 《Tetrahedron letters》2007,48(14):2577-2581
By applying the B3LYP/6-31G(d) method with the SCIPCM model on seven 4X substituted 2-hydroxybenzaldehydes, some structural characteristics related with their conformational equilibria and intramolecular hydrogen bonds have been clarified. The compounds are almost completely under the planar conformation characterized by a strong intramolecular hydrogen bond, which decreases in those solvents that possess a higher hydrogen bond donating capability and polarity. The substituents exert a marked influence on the conformational equilibrium constants and the strength of the IHB. Moreover, the excellent Hammett-type equations obtained support the proposed conformational reactions to quantify the IHB in the o-hydroxybenzaldehydes studied. 相似文献
267.
Equilibrium geometries, interaction energies, and charge transfer for the intermolecular interactions between BrF and HnX (HF, H2O, and NH3) were studied at the MP2/6-311++G(3d,3p) level. The halogen-bonded geometry and hydrogen-bonded geometry are observed in these interactions. The calculated interaction energies show that the halogen-bonded structures are more stable than the corresponding hydrogen-bonded structures. To study the nature of the intermolecular interactions, symmetry-adapted perturbation theory (SAPT) calculations were carried out and the results indicate that the halogen bonding interactions are dominantly inductive energy in nature, while electrostatic energy governs the hydrogen bonding interactions. 相似文献
268.
Changes in the stability of the cadmium(ii) ethylenediamine complexes in mixed water—DMSO solvents were studied by pH-metry and calorimetry. Complex cations [Cd(en)]2+, [Cd(en)2]2+, and [Cd(en)3]2+ are formed in aqueous solutions, and the [Cd(en)4]2+ complex with a partially dentate ligand is stable in DMSO. An increase in the DMSO content in a solvent increases the stability of the complexes. The maximum increase in logK is observed for coordinatively saturated compounds. The thermodynamics of complexation is discussed from the viewpoint of solvation approach. Principal differences in the influence of aqueous-alcohol and aqueous-aprotic solvents on the stability of the metal amino complexes were revealed. Protolytic solvents exert a destabilizing effect on the multiligand complexes, because the coordination sphere is involved in H bonding. 相似文献
269.
Masaaki Suzuki Yoshihumi Sato Hiroshi Akatsuka 《Plasma Chemistry and Plasma Processing》1996,16(3):399-415
The objective of the present work is to investigate the behavior of hydrogen in an atmospheric-pressure free-burning argon are when a small amount of hydrogen is added into the arc. A two-dimensional model calculation is carried out under the assumption that the ionization reaction of argon is in equilibrium and the reactions among hydrogen molecules, atoms, ions, and electrons are not necessarily in equilibrium. This calculation gives the following conclusion. The hydrogen mass fraction of 0.001 is too small to affect the flow and temperature fields markedly, and the concentration ratios among the hydrogen species are in equilibrium in the greater part of the arc region except for same parts with a steep temperature gradient. The hydrogen mass Junction, however, is not uniform in the me and, especially in the high-temperature region near the cathodes, over three dynes mass fraction of the hydrogen accumulates and flows downstream to cause a high flux of hydrogen atom toward the anode. This phenomena can be explained by the large difference between the diffusivity of hydrogen atom and that of hydrogen ion in argon ion. 相似文献
270.
两个新的氢键诱导液晶化合物的合成 总被引:3,自引:0,他引:3
通过4-丁氧基苯甲酸(4BA0与两个手性取代的苯乙烯基吡啶(VSZ及LSZ)间的氢键作用合成了2个新的液晶化合物,用DSC、偏光显微镜研究了其液晶行为,并由红外光谱证实了分子间氢键的存在,形成的复合物4BA-VSZ具有手性近晶C相。 相似文献