三中心键
- 网络three center bond
三中心键
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化合物1a,2和3具有2或3个二电子三中心键,表明该类化合物具有与传统C化学不同的电子结构和立体化学构型。
Compounds 1a , 2 and 3 possess 2 or 3 three-center two-electron bondings , suggesting that it is necessary to adopt a delocalized molecular orbital bonding description to account for their electronic and stereochemical requirements . [ WT5HZ ]
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采用Dunning基的从头计算量子化学方法阐明,在乙硼烷中两个氢桥三中心键已因σ-共轭效应而融合成一个四中心键。
It is demonstrated by means of quantum-chemical ab initio method , with the Dunning 's basis set , that , owing to the cr-conjugation . effect , the two three-center hydrogen-bridge bonds have been fused into a four-center bond .