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在前人工作的基础上,用分子力学的方法进一步研究丙烯氢原子[1,3]σ异面迁移的反应机理.从分子的结构变化过程中整个分子的张力变化,具体分析出3个碳原子的键角减少而造成的张力增加并不是导致新键较迟形成的主要因素.“,”The molecular mechanics method was used to study the mechanism of H-sigmatropic [1, 3] antarafacial shift in propene. It was found that the affection of C4 is the main factor causing the formation of new bond later than the break of old bond.