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941.
毛细管色谱直接进样法测定白酒中高碳脂肪酸乙酯的研究 总被引:2,自引:0,他引:2
介绍了采用FFAP键合毛细管柱直接进样测定白酒中5种高碳脂肪酸乙酯的方法,操作简捷,定量准确,检测限低达04mg/L。用该法测定了各种香型近90个白酒样品。改变色谱条件后,在一次直接进样分析中除能测定高碳脂肪酸乙酯外,而且还能对白酒中醇、酯、醛、酮以及有机酸等52种香味组分进行定量测定,结果重现性良好。 相似文献
942.
Gunter Zwilling 《Monatshefte für Chemie / Chemical Monthly》1981,112(2):157-165
The anodic overvoltage on carbon and platinum electrodes in the electrochemical production of high purity gadolinium from molten 75 LiF-25 mol% GdF3 solutions is discussed. At the cell temperature of 840°C calciumimpregnated anodes led to the reduction of inert electrode films and to a current yield of nearly 100%.The deposited gadolinium contained 75, 22, 54 and less than 100 ppm of the interstitial elements H, N, O and C respectively; the concentrations of the highest other analysed impurities were: Si (89), Fe (15), Y (5), Zr (3), Nd (3), Tb (71), Ta (49), W (23) and Re (<3 ppm).Partly performed at the Ames Laboratory—U.S. Department of Energy. 相似文献
943.
Ab initio calculations on vinyldifluoroborane yield a -contribution of 23 kJ/mol (5.5 kcal/mol) mainly due to the C=C bond and not to the lone pairs of the fluorine atoms. The rotational barrier was also determined. The force field calculations favour the interpretation of the bond structure derived from the theab initio results. 相似文献
944.
ab initio Calculation of the Cl2C=CHOMe molecule has been carried out with geometrical optimization in the split valence basis set in the RHF/6-31G*//RHF/6-31G* approximation. An analysis of the populations of the p-orbitals of the Cl atoms implies the absence of p,-conjugation between the unshared electron pairs of these atoms and the -bond. The asymmetry parameters of the electric field gradient at the35Cl nuclei, calculated from the 3p-orbital populations of the Cl atoms, practically coincide with the experimental values.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2369–2372, December, 1995.The authors are grateful to G. S. Beloglazov for assistance in accomplishingab initio calculations. 相似文献
945.
José Glaüco Ribeiro Tostes 《Theoretical chemistry accounts》1981,59(3):229-235
Certain features of the chemist's molecular structure model, viz. size and shape, are retrieved even in the best non-adiabatic variational calculations thus far carried out for ground states of H
2
+
and H2. Those features do not conflict with the full symmetry of exact molecular eigenstates, once they are properly understood as correlation effects. 相似文献
946.
V. P. Solov’ev N. V. Kireeva A. Yu. Tsivadze A. A. Varnek 《Journal of Structural Chemistry》2006,47(2):298-311
The method of substructural molecular fragments based on representation of the molecular graph by ensembles of fragments and involving calculations of those contributions to the given property is applied to the modelling of stability constants of the complexes of strontium(II) with organic ligands in water. Reliability of predictions of developed structure-property models was examined using three different test sets of structurally diverse ligands. The obtained models have been used for generation and screening of combinatorial library of virtual ligands. Some hypothetical efficient Sr(II) binders were suggested. 相似文献
947.
948.
The keto-enol tautomerization of p-hydroxyphenylpyruvic acid (pHPP) in aqueous solutions and the complexation reaction between enolic pHPP and boric acid have been studied by electrochemical techniques including linear sweep voltammetry (LSV), pulse voltammetry, and cyclic voltammetry (CV), combining with UV spectrometry. Electrochemical techniques reveal that in aqueous solution, there are two tautomers of pHPP: enolic form and ketonic form; the former exists mainly in freshly prepared pHPP solution, and the latter exists mainly in equilibrium solution. Both enolic and ketonic pHPP are electroactive. The electrochemical oxidation of enolic pHPP gives rise to two anodic waves, I(a) and II(a), while the electrochemical oxidation of ketonic pHPP only results in the observation of the second wave II(a). The oxidation process I(a) is revealed to be associated with the quasi-reversible, two-electron two-proton oxidation of "C=C"group at the side chain of enolic pHPP, and the oxidation process II(a) is proposed to result from the irreversible oxidation of phenolic hydroxyl group. It is observed that in aqueous solution, enolic pHPP can quickly complex with boric acid to yield enol-borate complex that can also oxidize at a glassy carbon electrode to yield an anodic wave. 相似文献
949.
The reaction of diethyl 3-ethoxycarbonyl-2-methyl-2-propenylphosphonate (1a) with 3-methylbutanal (2) in heterogeneous MOH (solid)-benzene systems in the presence of 5–10 mol.% of benzyltriethylammonium chloride (BTEAC) gives the reaction product (3) with a higher, for M=K, or lower, for M=Li, ratio of 2E,4E and 2Z,4E-stereoisomers than that observed in the absence of BTEAC. Tetrabutylammonium bromide (TBAB) as a catalyst of the reaction1a + 2 3 in the system KOH (solid)-wet benzene leads to a higher [2E,4E-3][2Z,4E-3] ratio than BTEAC; this ratio grows from 4456 without TBAB to 8020 at 100 mol.% of TBAB. In the latter case the stereochemical outcome of the reaction is similar to that obtained when tetrabutylammonium hydroxide in dry benzene is used as the deprotonating agent. The corresponding diisopropyl phosphonate (1b) and 3,7-dimethyloctanal (4a) interact in the system KOH (solid)-wet benzene-TBAB to give hydroprene (5) containing 88 % of the 2E,4E-isomer (5a) while in the case of 1 equiv. of [(n-Bu4)N]OH in dry benzene the content of5a is 92 %. Diisopropyl 3-isopropoxycarbonyl-2-methyl-2-propenylphosphonate (1c) and 7-methoxy-3,7-dimethyloctanal (4b) under either of these conditions afford methoprene (6) containing 93 % of the 2E,4E-isomer.Part 6, see ref. 1.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1094–1098, June, 1993. 相似文献
950.
采用SCF-X_α-MS方法, 对于C(2×2)S/Fe(001)吸附体系, 选择Fe_5S和Fe_9S两种原子簇模型, 研究了该吸附体系的电子结构、吸附成键特征及其相互作用图象。结果表明, S吸附于Fe(001)单晶表面具有较强的定域性质, S原子与底物Fe原子之间的吸附相互作用主要表现为S(3p)-Fe(4s,3d)之间的轨道相互作用。通过对表面吸附键长的优化, 其结果与X.S.Zhang等的ARPEFS的实验结果一致。 相似文献