Activation of C-H bond in alkanes and their coordinated catalytic reaction by organometallic  complexes    III: EHMO calculation of oxidative chlorination of pentane catalyzed by PtCl4)^2^- ion

Acta Chimica Sinica ›› 1983, Vol. 41 ›› Issue (11): 993-998. Previous Articles Next Articles

Original Articles

饱和烃C-H键的活化及其配位催化反应的研究 III:PtCl4^2^-配位离子催化戊烷氧化氯化反应的EHMO计算

李广年;丁涪江;张良辅

中国科学院成都有机化学研究所

发布日期:1983-11-15

Activation of C-H bond in alkanes and their coordinated catalytic reaction by organometallic complexes III: EHMO calculation of oxidative chlorination of pentane catalyzed by PtCl4)^2^- ion

LI GUANGNIAN;DING FUJIANG;ZHANG LIANGFU

Published:1983-11-15

Abstract

EHMO method is applied to calculate the total energies of the alkane coordinated to mixing orbital

Key words: OXIDATION, CATALYST, ALKANE, CALCULATION, CHLORINE ION, ACTIVATION, PENTANE, CHLORINATION REACTION, PLATINUM COMPLEX, CHEMICAL BONDS

CLC Number:

O621.16

Cite this article

LI GUANGNIAN;DING FUJIANG;ZHANG LIANGFU. Activation of C-H bond in alkanes and their coordinated catalytic reaction by organometallic complexes III: EHMO calculation of oxidative chlorination of pentane catalyzed by PtCl4)^2^- ion[J]. Acta Chimica Sinica, 1983, 41(11): 993-998.

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饱和烃C-H键的活化及其配位催化反应的研究 III:PtCl4^2^-配位离子催化戊烷氧化氯化反应的EHMO计算

Activation of C-H bond in alkanes and their coordinated catalytic reaction by organometallic complexes III: EHMO calculation of oxidative chlorination of pentane catalyzed by PtCl4)^2^- ion

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