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(CH₃Li)₄中键的探讨

Investigation of the Chemical Bond in（CH₃Li）₄

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【Author】 Liu Jingjiang (Department of Chemistry,Nankai University)Pan Jialai (Shanghai Institute of Organic Chemistry,Academia Sinica)Wang Zumo (Institute of Chemical Engineering of East China)

【机构】南开大学；上海有机化学研究所；华东化工学院；

【摘要】本文探讨（CH₃Li）₄中键的作用,通过计算,发现（CH₃Li）₄分子的面甲基结构比顶甲基结构要稳定;指出Li—Li间的成键作用相当强,约为Li₂分子中键作用的40%左右,估计（CH₃Li）₄中的J_{7_Li-6_Li}值约为1Hz。更多还原

【Abstract】 By CNDO/Ⅱ method,it is shown that molecule（CH₃Li）₄ with CH₃ on the surface is more stable than with that at the top.The bond order calculated indicates that the Li-Li bonding is rather strong,being about 40% of that of Li₂ molecule.The value J⁷Li-⁶Li in（CH₃Li）₄ is estimated to be around 1 Hz.更多还原