Acta Phys. -Chim. Sin. ›› 1994, Vol. 10 ›› Issue (02): 154-158.doi: 10.3866/PKU.WHXB19940213
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Liu Yue, Zhao Cheng-Da, Huang Jing-An
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Abstract:
Based on neighbouring group participation, we have proposed a bi-bridge reaction mechanism, i.e. in the path of the reaction, there is a bi-bridged structure with two bridging atoms across a single carbonus-cacbon bond. We have studied it by ab initio molecular orbital calculation. And all the geometries of the bi-bridge structines studied by us are transition states of the bi-bridge reaction. The theoretical data of structures, energies, and charge distribution give good information about such kind of reactions.
Key words: Bi-bridge reaction mechansim, Ab initio calculation, Neighbouring group participation
Liu Yue, Zhao Cheng-Da, Huang Jing-An. Study on Bi-bridge Reaction Mechanism by Ab initio Molecular Orbital Calculation[J].Acta Phys. -Chim. Sin., 1994, 10(02): 154-158.
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URL: http://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB19940213
http://www.whxb.pku.edu.cn/EN/Y1994/V10/I02/154
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