论文部分内容阅读
近年来国际上已合成出多种取代戊二烯负离子的金属有机化合物。人们从实验和理论上研究戊二烯负离子(C_5H_7~-)稳定性和电子结构,迄今为止结论各不相同。其中Dewar曾用MNDO方法做了完全几何优化,结果表明各异构体稳定化次序为W>S>U。
In recent years, many kinds of metal organic compounds have been synthesized in the world to replace pentadiene anions. People from the experimental and theoretical studies of pentadiene anions (C_5H_7 ~ -) stability and electronic structure, so far the conclusions vary. Among them, Dewar has done a complete geometric optimization using the MNDO method. The results show that the order of the isomers is W> S> U.