Blue-shifted dihydrogen bonds
Blue-shifted dihydrogen bonds
复制标题
蓝移二氢键
DOI：
10.1002/poc.785
复制
发表时间：
2004
影响因子：
1.8
通讯作者：
Q. Guo
中科院分区：
文献类型：
--
作者：
Yong Feng;Suwen Zhao;Lei Liu;Jin;Xiaosong Li;Q. Guo
蓝移二氢键预计存在于许多非共价配合物中，包括 F3C—H…H—Be—X、F3C—H…H—Mg—X、F3C—H…H4Si、F3Si—H…H—Li、F3Si—H…H—Be—X、F3Si—H…H—Mg—X 和 F3Si—H…H4Si (X = H、F、Cl 和CH3）。质子氢和氢氢之间的泡利排斥和核-核排斥被认为是蓝移的原因。版权所有 © 2004 约翰·威利父子有限公司
Blue-shifted dihydrogen bonds were predicted to be present in a number of non-covalent complexes including F3C—H…H—Be—X, F3C—H…H—Mg—X, F3C—H…H4Si, F3Si—H…H—Li, F3Si—H…H—Be—X, F3Si—H…H—Mg—X, and F3Si—H…H4Si (X = H, F, Cl and CH3). Pauli and nuclei–nuclei repulsions between the protonic hydrogen and hydridic hydrogen are proposed as the cause of the blue shift. Copyright © 2004 John Wiley & Sons, Ltd.