键合成反键分子轨道的原子轨函符合对称性条件

Atomic Orbitals of Bonding to Antibonding M.O.in Conformity to Symmetry Condition

键合成反键分子轨道的两个原子轨函对键轴的对称性是一致的,且它们的重叠积分S和β积分均不为零,故它们符合对称性条件。有两种不同类型的异号原子轨函重叠,反键型和非键型。只有后者不符合对称性条件。不要把反键分子轨函中节面上的φ_(MO)=0误认为是S=0或β=0。

Two atomic orbitals of bonding to antibonding M. O. have ConformableSymmetry to bonding axis. Their overlapping integral S and beta integralβ are not equal to zero. Therefore, they are in conformity to symmetrycondition. There are two different kinds of hetero-sign overlapping of A. O.-antibonding type and nonbonding type, in which only the latter is notin conformity to symmetry condition. Don't mistake the ψ_(MO)=0 on thenodal plane in antibonding M. O. for S=0 or β=0.