Structurally recognizable electron density transfer in the donor-acceptor complex {1,2,4,5-tetra(thioethyl)benzene center dot center dot center dot bromine(2)}(infinity)

被引：16
作者：
Bock, H
Havlas, Z
Rauschenbach, A
Nather, C
Kleine, M
机构：
来源：
CHEMICAL COMMUNICATIONS | 1996年 / 13期
关键词：
D O I：
10.1039/cc9960001529
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The crystal structure determination of a sulfur lone pair donor complex with bromine reveals an increase of the Br-Br bond length from 228 pm (gas-phase) to 241 pm, for which density functional theory calculations predict a -0.25 charge transfer in the ground state.
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页码：1529 / 1530
页数：2
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