Anion binding by multidentate Lewis acids: a DFT study

被引:11
作者
Aldridge, S [1 ]
Fallis, IA [1 ]
Howard, ST [1 ]
机构
[1] Cardiff Univ, Dept Chem, Cardiff CF10 3TB, S Glam, Wales
关键词
D O I
10.1039/b007544m
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Density functional studies of model tribora-macrocyclic Lewis acids indicate extremely strong binding of the methyl anion, which in some cases exceeds that of B(C6F5)(3). In addition anion selectivity for the fluoride ion is implied by binding energies ca. 200 kJ mol(-1) greater than those of other halides.
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页码:231 / 232
页数:2
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