摘要
σ键和键长的定义表明σ键是直线键。但是，根据范德华斥力的推断和量子化学计算结果表明，大多数σ键不是直线键，而是弯曲键。量子化学计算的弯曲方向与根据范德华斥为预测的方向一致．只有少数高度对称的分子中才存在真正的直线键。
The definition of σ-bonds and bond length show that the σ-bonds are straight. Howerver mostof σ-bonds are not straight but bent according to the deduction by the Van der Waals repultions and theresult of the quantum-chemcical calculation.The orintations of these bent bonds through calculation areconsisent with the directions Predicated by the Van der Waals repulsion. Only the bonds in a few moleculesof high symmetry are straight.
出处
《石油化工高等学校学报》
CAS
1996年第4期1-5,22,共6页
Journal of Petrochemical Universities
基金
国家自然科学基金
关键词
Σ键
弯曲键
范德华斥力
量子化学计算
σ-Bonds
Bent bond
Van der Waals repultions
Quantum-chemical calculation
