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The authors discuss the structural rule of different kinds of polyhedral boranes andpropose a general topological formula for calculating the number of bonding molecular orbitals.Inthe case of single polyhedral boranes,results obtained from the formula are the same as those fromthe famous Wade rule.Futhermore,the formula can also be used to calculate the number of bondingmolecular orbitals of joined-type polyhedral boranes.We have also made some quantum chemistrycalculations to verify the concept that the number of bonding molecular orbitals of boranes can bedetermined by considering only the corresponding boron polyhedral frameworks.
The authors discuss the structural rule of different kinds of polyhedral boranes and propose a general topological formula for calculating the number of bonding molecular orbitals. Inthe case of single polyhedral boranes, results obtained from the formula are the same as those from the famous Wade rule. Foothermore, the formula can also be used to calculate the number of bonding molecule orbitals of joined-type polyhedral boranes. We have also made some quantum chemistrycalculations to verify the concept that the number of bonding molecular orbitals of boranes can be determined by considering only the corresponding boron polyhedral frameworks .