摘要
本文根据Samucl反键分子轨道增价原理和Linnett反键轨道电子配对理论,论述了4电子3中心分子体系Harcourt增价结构的构造方式。重点放在对其波函数的考虑,即由结构的波函数阐明结构的性质及特点,如长键共振结构和键的分数性。我们还证明Harcourt增价结构是作近似分子轨道处理涉及到组态相互作用时的主要结构成分。对N_2O分子的定性价键描述,包含Harcourt增价结构才是完全的。
In uns,paper, we claoorate me proc(?)ure to construct the inercased—valence tormula tor any 4—(?), 3—A(?) system according to samucl and linnett antibonding orbitat thcory, and put the stress on the consideration to the bond—eigenfunction, from which to expound the properties of the increased—valence structure, such as the long—bond resonance structure and the fractional bond. We also prove that increased—valence structure is the primary valence—bond structure for the approximate molocalar orbital scheme when configuration intentions is inooked, Only the increased—valence structures are included in resonance, Can the qualitative valence bond describation for N. O and nitrosyl halides be complete.
关键词
增价结构
长键结构
分数键
Increased—valence structure
Long—bond structure
Fractional bond
