Second-Order Jahn–Teller (SOJT) Structural Disto

更新时间:2023-05-14 06:26:04 阅读: 评论:0

Second-Order Jahn–Teller (SOJT) Structural Distortions in Multiply Bonded Higher Main Group
Compounds
Kairo期刊名称: Organometallics
苜蓿芽作者: Wedler Henry B.,Wendelboe Paul,Power Philip P.
年份: 2018年自洁
丢掉幻想准备斗争摘要:Thegeometrical deviations from planar to folded or from linearto bent structures obrved in multiply bonded heavy main group elementanalogues of ethylene and acetylene are treated from a cond-orderJahn–Teller (SOJT) perspective. The structural distortionscan be regarded as a conquence of a mixing of the filled highestoccupied molecular orbital (HOMO) and an unoccupied orbital (LUMO+1).This mixing stabilizes the HOMO and destabilizes the unoccupied LUMO+1orbital and produces nonbonding electron density, which caus thegeometrical distortion through interelectronic repulsion. This occursmore readily in the heavier species becau of their generally wea在操场上
现代诗自创kerbonds, which permit a clor approach and hence greater interactionof the molecular levels. Predicting which geometrical distortion enablesthe HOMO/LUMO+1 mixing 宿舍安全
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