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21.
Mariusz Klobukowski 《Theoretical chemistry accounts》1992,83(3-4):239-248
Summary The effective core potential and model potential methods were used in post-SCF calculations on HC1, HBr, Cl2, and Br2 in order to gain insight into the effect of insufficient representation of inner nodes in the valence orbitals of the approximate methods. The results show that while the correlation energy may be slightly overestimated (by 1–7%), both the electric moment functions and the quantities depending on energy differences are consistently similar for the methods studied and close to the results from all-electron calculations.Dedicated to Prof. Klaus Ruedenberg 相似文献
22.
K. Abiraj 《Tetrahedron letters》2004,45(10):2081-2084
Reductive homocoupling of aryl halides in the presence of commercial zinc dust and ammonium formate in methanol produces biaryls in good to excellent yields. Aryl halides having either electron-donating or electron-withdrawing groups underwent smooth coupling to afford the corresponding symmetrical biaryls. Addition of 1 equiv of sodium hydroxide enhanced the coupling reaction rate. Commercial zinc dust is inexpensive, widely available and can be used without any auxiliary catalysts such as Pd(0) and/or Ni(0). 相似文献
23.
Reactions of aryl aldehydes with styrene and (E)-β-methylstyrene in the presence of phenylboron dichloride regioselectively generate 1,3-diaryl-3-chloro-1-propanols and 1,3-diaryl-3-chloro-2-methyl-1-propanols in good to excellent yields with high stereoselectivity. 相似文献
24.
H. M. Dalloul N. S. Al-Abadla Kh. A. El-Nwairy 《Chemistry of Heterocyclic Compounds》2007,43(3):314-319
A new series of substituted 1,2,4-triazoles was synthesized from the cycloaddition reaction of alkanal and cycloalkanal hydrazones
containing electron-withdrawing groups (MeCO, PhCO, and MeOCO) with appropriate hydrazonoyl halides.
__________
Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 3, pp. 392–398, March, 2007. 相似文献
25.
I. Goba B. Turovska J. Stradins I. Turovskis E. Liepinsh S. Belyakov 《Chemistry of Heterocyclic Compounds》2007,43(2):175-186
It has been shown that chemical oxidation of the methyl ester of 3,4,5-trimethoxycarbonyl-1,2,6-trimethyl-1,4-dihydropyridine
to the pyridinium salt, requiring forcing experimental conditions, may be replaced by electrochemical oxidation. On electrochemical
reduction of 3,4,5-trimethoxycarbonyl-1,2,6-trimethylpyridinium perchlorate in the presence of alkylating agents 1,2,3,4,4,5,6-substituted
1,4-dihydropyridines are obtained.
__________
Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 2, pp. 226–237, February, 2007. 相似文献
26.
Rosario De Lisi Mario Goffredi Vincenzo Turco Liveri 《Journal of solution chemistry》1981,10(5):351-356
The conductances of dilute aqueous solutions of KCl, KBr, and KI have been measured over the temperature range 2 to 8°C and have been analyzed by the Fuoss-Hsia equation. The ionic Walden products at infinite dilution have been discussed in terms of local viscosity. The temperature dependence of these products suggest that near the temperature of maximum density of water, the structure-breaking ability of these ions changes in a regular way. 相似文献
27.
S. M. Peregudova L. I. Denisovich N. A. Ustynyuk L. I. Leont'eva V. N. Vinogradova T. V. Filatova 《Russian Chemical Bulletin》1995,44(10):1973-1975
Reduction of phenylethynyl halides PhCCHal (Hal = I (1), Br (2), Cl (3)), diiodoacetylene (4), (phenylethynyl)triphenylphosphonium bromide (5), and related compounds in THF was studied by means of cyclic voltammetry using a glassy-carbon electrode. Compounds1–5 are reduced with cleavage of the C-Hal bond, and the reduction potentials increase in the order3 <2 <1 <4 <5.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 2055–2057, October, 1995. 相似文献
28.
A. Davoodnia M. Roshani E. Saleh Nadim M. Bakavoli N. Tavakoli Hoseini 《中国化学快报》2007,18(11):1327-1330
Microwave-assisted synthesis of new 2-arylpyrimido[4′,5′:4,5]thiazolo[3,2-α]benzimidazol-4(3H)-ones from 3-aminothia- zolo[3,2-α]benzimidazol-2-earboxamide and aroyl halides in solvent-free condition is described. In comparison with classical conditions the reactions are faster and the yields are higher under microwave irradiation. 相似文献
29.
A mild and highly efficient deoxygenation of variety of N-oxides using an inexpensive CuX, or a CuX-Zn or CuX-Al couple is described. 相似文献
30.
在一般情况下,格氏试剂与酰卤偶合反应难以控制在酮阶段,往往得到叔醇。在较低温度下有机铜试剂与酰卤偶合可高产率地得到酮,所以用固体铜盐CuX(X=Cl、Br、I)作为格氏试剂与酰卤偶合的催化剂,可以提高反应的选择性,从而提高酮的产率。但固体铜盐的催化反应仅适合于空间位阻较大的脂肪酮和某些芳香酮的制备,对于直链脂肪酮的制备则产率很低。我们采用可溶性铜络合物Li_2Cucl_4(四氯合铜酸锂)等作催化剂,在均相溶液中反应,有效地提高了催化效果及反应的选择性,从而使格氏试剂与酰卤的偶合反应成功地用于直链脂肪酮的制备,产率良好。 相似文献