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991.
Geneviève Roux David Roberts Gérald Perron Jacques E. Desnoyers 《Journal of solution chemistry》1980,9(9):629-647
The heat capacities per unit volume and the densities of aqueous solutions of 2-propanol, neopentanol, tert-amylalcohol, 2-amino-2-methylpropanol, triethylamine and diethylmethylamine were measured, in many cases as a function of temperature, over the whole mole fraction or solubility range. Apparent and partial molal heat capacities, volumes and expansibilities were derived. The concentration dependence of these functions suggest the existence of transitions in some of these systems, in the water-rich region, qualitatively similar to micellization. The large relaxation contribution observed with some of the thermodynamic functions of hydrophobic alcohols and amines suggests a reinforcement of hydrophobic hydration due to strong hydrogen-bonding interactions of the polar groups with water. 相似文献
993.
A. A. Korlyukov K. A. Lyssenko M. Yu. Antipin A. G. Shipov O. A. Zamyshlyaeva E. P. Kramarova Vad. V. Negrebetsky S. A. Pogozhikh Yu. E. Ovchinnikov Yu. I. Baukov 《Russian Chemical Bulletin》2004,53(9):1924-1931
The reaction of 4-(2-hydroxybenzoyl)-2,2,6,6-tetramethyl-2,6-disilamorpholine with BF3Et2O afforded (O-B)-chelate 4-[2-(difluoroboroxy)benzoyl]-2,2,6,6-tetramethyl-2,6-disilamorpholine. Treatment of the latter with BF3Et2O or SOCl2 gave rise to products of the disilamorpholine ring opening, viz., (O-B) chelate 2-(difluoroboroxy)-N,N-bis(dimethylfluorosilylmethyl)benzamide or 2-(difluoroboroxy)-N, N-bis(dimethylchlorosilylmethyl)benzamide, respectively. The structures of the compounds synthesized were confirmed by X-ray diffraction analysis and 1H, 13C, and 29Si NMR spectroscopy. High-precision X-ray diffraction study and quantum-chemical calculations demonstrated that the coordination OSi bond is absent in the two last-mentioned compounds.Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1846–1853, September, 2004. 相似文献
994.
Monot Frédéric Benoit Yves Ballerini Daniel Vandecasteele Jean-Paul 《Applied biochemistry and biotechnology》1990,(1):375-386
Utilization of lipases for synthesis of esters of hydrophilic polyols has been investigated. The choice of a suitable solvent
is crucial in this type of reaction. An interesting case is fatty acid esters from neopentylpolyols, such as trimethylolpropane,
which are of great interest as high temperature lubricants. Enzymatic synthesis of trimethylolpropane tricaprylate was studied
as an alternative to chemical manufacturing. Triester production occurred only if the water produced by esterification was
continuously removed from the medium. In these condition, kinetics of appearance and transformation of mono-, di- and triesters
were determined in order to define optimal conditions. 相似文献
995.
二氧化碳多相催化加氢的新进展 总被引:4,自引:0,他引:4
就近年来关于CO2活化、几个重要的CO2多相催化加氢反应及廉价氢的供给的研究进展进行综述。参考文献34篇。 相似文献
996.
Summary The capillary gas chromatographic retention behavior of -pinene and tricyclene has been investigated on stationary phases of different polarities. On all but one of the columns employed, tricyclene eluted before -pinene; only permethylated -cyclodextrins dissolved in moderately polar polisiloxanes gave a reversed elution order. The intermolecular interactions which caused the unexpected retention behavior were investigated in detail, applying methods of computer simulation. To achieve this, we have developed a calculation algorithm on the basis of molecular mechanical optimizations and programmed it in a macro. This makes it possible to systematically investigate a given configuration space in which all the possible interactions can take place. It was shown that permethylated -cyclodextrin as host molecule for both guest molecules offers an optimum cavity size. As a result the number of energetically favorable contacts between host and guest molecules as well as the strength of the interactions in this stationary phase were larger. As a consequence the elution order, normally only influenced by the vapor pressure of the compounds at a given temperature, was changed. Nonspecific interactions played an especially important role for these kinds of substances. 相似文献
997.
998.
999.
The Fermi and Coulomb holes of the 21
S state of the helium isoelectronic sequence are investigated. Several interesting differences between the results obtained and those which might be expected on the basis of the corresponding 23
S state are pointed out and discussed. 相似文献
1000.
E. A. Zheligovskaya 《Journal of Structural Chemistry》2003,44(5):827-835
A computer simulation of proton-ordered ice IX and its proton-disordered analog III (768 molecules, 90 K) was carried out by the molecular dynamics method using Poltev–Malenkov's potential. For ice IX, the differences in the dynamic characteristics of molecules with O(1) and O(2) are much wider than those in the case of ice III. The libration spectrum of ice IX has a number of distinct acute peaks, and the spectrum of ice III is strongly smoothed. These peculiarities are explained by the proton ordering of ice IX and disordering of ice III. The latter is responsible for the great differences in the short- and especially long-range environment of water molecules in ice crystals and hence for the presence of many molecules with different dynamic characteristics. Thus averaging over a large number of different vibrational spectra of molecules leads to a smoothed total spectrum in the case of the proton-disordered crystal modification of ice. 相似文献