在线阅读 --自然科学版 2015年2期《新型非共价相互作用——σ hole作用的研究进展》
新型非共价相互作用——σ hole作用的研究进展--[在线阅读]
李巍, 曾艳丽, 孟令鹏
河北师范大学 化学与材料科学学院, 河北 石家庄 050024
起止页码: 152--157页
DOI: 10.13763/j.cnki.jhebnu.nse.2015.02.011
摘要
第Ⅳ~Ⅶ主族元素的原子的σ hole与亲核物质之间的作用,已经成为目前研究弱相互作用的热点问题.该类作用一般表示为RnX…B(n=1,2,3,4),其中X为第Ⅳ~Ⅶ主族元素的原子,B为亲核物质.RX分子σ hole处静电势最大值(VS,max)与2个因素有关:1)X原子外VS,max值随X原子的电负性增大而减小;2)X原子外VS,max值随RnX(n=1,2,3,4)分子中X原子sp杂化中p轨道的贡献的增大而增大.

Research Progress on the New Tept of Non-covale σ-hole Interaction
LI Wei, ZENG Yanli, MENG Lingpeng
College of Chemistry and Material Sciences, Hebei Normal University, Hebei Shijiazhuang 050024, China
Abstract:
The σ-hole interaction,which is between the covalent Ⅳ A-Ⅶ A atoms and nucleophilic substances,has become a hot issue of the weak interactions.The σ-hole interaction generally denotes as:RnX…B(n=1,2,3,4),where X is the Ⅳ A~Ⅶ A atom and B is the nucleophilic substance.The most positive electrostatic potentials (VS,max) on the molecular surfaces of RX are affected by two factors:1) the VS,max value decreases with X electronegativity increasing,2)the increasing p orbital contributions of sp hybrid of the X atom will lead to the stronger positive potentials outside X atom (VS,max).

收稿日期: 2013-10-12
基金项目: 国家自然科学基金(21371045,21373075); 河北省教育厅科研基金(ZH2012106)

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