北京师范大学学报：自然科学版2011，Vol.47Issue(5)：478-481,4.
判断取代基相对诱导效应强度的新方法——Ⅰ取代基中与甲基碳原子相连原子不具有不饱和键的情况
NEW METHODS TO IDENTIFY THE INDUCTIVE EFFECT INTENSION OF SUBSTITUENT：（Ⅰ） ATOM BONDED TO THE CARBON OF SUBSTITUTED METHANE WITHOUT UNSATURATED BOND
摘要
Abstract
Using mono-substituted methane CH_3R（R is substituent） as model,difference in chemical shift of carbon between CH_3R and CH_4 Δδ was calculated based on experimental data,difference in net charge of carbon between CH_3R and CH_4 ΔQ was acquired through quantum chemical calculations.Δδ and ΔQ was used to identify inductive effect intension of substituent relative to Hatom.Correlation relationship between Δδ and ΔQ was good when atom bonded to carbon atom of substituted methane had no unsaturated bond.It is concluded that Δδ and ΔQ conform to chemical rules better.关键词
甲基/取代基/诱导效应强度/净电荷/化学位移Key words
methyl/substituent/inductive effect intension/net charge/chemical shift分类
化学化工引用本文复制引用
杨金瑞,母伟花,方德彩,余尚先..判断取代基相对诱导效应强度的新方法——Ⅰ取代基中与甲基碳原子相连原子不具有不饱和键的情况[J].北京师范大学学报：自然科学版,2011,47(5):478-481,4.
