Predicting the proton shielding anisotropy in HF•••CO2:: a use of distributed magnetizabilities

被引：6

作者：

Buckingham, AD ^{[1
]}

Tantirungrotechai, Y ^{[1
]}

机构：

[1] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

来源：

MOLECULAR PHYSICS | 1999年 / 96卷 / 08期

关键词：

D O I：

10.1080/00268979909483067

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A large increase in the proton shielding anisotropy in the hydrogen fluoride molecule on forming the linear complex FH...CO2 is calculated using the long-range interaction model. The model gives good agreement with the ab initio computed result when a three-centre distributed model of the magnetizability of CO2 is used but a single-centre magnetizability is less successful.

引用

页码：1225 / 1229

页数：5

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