Acta Chimica Sinica ›› 1998, Vol. 56 ›› Issue (11): 1087-1092. Previous Articles     Next Articles

Original Articles

生物体系中电子转移机理的研究Ⅱ: 分子间电子转移及 电子供、受体间不同基 团的影响

翟宇峰;蒋华良;朱维良;顾健德;陈建忠;陈凯先;嵇汝运   

  1. 中国科学院上海药物研究所.上海(200031)
  • 发布日期:1998-11-15

Theoretical study on the electron transfer in biological systemⅡ: Intermolecular electron transfer and the effects of different

Di Yufeng;Jiang Hualiang;Zhu Weiliang;Gu Jiande;Chen Jianzhong;Chen Kaixian;Ji Ruyun   

  1. Shanghai Inst Mat Med., CAS.Shanghai(200031)
  • Published:1998-11-15

Intermolecular electron transfer between benzene and benzene anion has been studied by AM1 method wing the MOPAC-ET program developed by our group. The electron transfer matrix elemen V~A~B between the donor and acceptor and its relationship with donor- acceptor distance are calculated. In addition to this, the effects of different groups between two benzene rings are also studied. It is found that different groups have signficant effects on the electron transfer.

Key words: ELECTRON TRANSFER REACTION, ELECTRON MATRIX ELEMENT, AM1 METHOD, ELECTRON ACCEPTOR, DONOR, GROUP

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