非稠合型硼烷和碳硼烷的新电子计数规则

有许多非稠合型闭式硼烷和碳硼烷无法应用Wang和Schleyer的6m＋2n电子规则。作者根据实验事实和量子化学计算结果,提出了一个适用于非稠合型硼烷和碳硼烷的电子计数新规则,它适用于各种类型非稠合型闭式硼烷和碳硼烷,扩展了6m＋2n电子规则的应用范围。同时该规则对于非稠合型非闭式硼烷和碳硼烷也完全适用,应用范围比Wade规则要广。新计数规则的计算结果非常令人满意。由作者提出的新电子计数规则表明,非稠合型硼烷和碳硼烷是由一些单锥体和骨架连接键稠合而成的,而稠合型硼烷或碳硼烷则不属于该规则的讨论范畴,可仍按Tang和Li的硼烷规则计算。

A New Electron-counting Rule for Non-condensed Boranes and Carboranes

Many non-condensed closo boranes and carboranes can not use 6m＋2n electron rule developed by Wang Z.X.Wang and P.V.R.Schleyer.According to experimental facts and calculation results of quantum chemistry,the author sets up a new electron-counting rule for non-condensed boranes and carboranes.It suits various types of non-condensed closo boranes and carboranes,extending the applying range of 6m＋2n electron rule.Meanwhile,it can apply to non-condensed non-closo boranes and carboranes,by which extending the applying range of Wade＇s rule.The calculating results of new electron-counting rule are very satisfying.Therefore,the non-condensed boranes and carboranes are condensed by some pyramids and skeletal bonds according to new electron-counting rule.The condensed boranes and carboranes should use Tang and Li＇s borane rule.