化学学报 ›› 1983, Vol. 41 ›› Issue (11): 993-998. 上一篇    下一篇

研究论文

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   

  1. 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

关键词: 氧化, 催化剂, 烷烃, 计算, 氯离子, 活化, 戊烷, 氯化反应, 铂络合物, 化学键

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

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