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Blue‐shifted dihydrogen bonds
Author(s) -
Feng Yong,
Zhao SuWen,
Liu Lei,
Wang JinTi,
Li XiaoSong,
Guo QingXiang
Publication year - 2004
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.785
Subject(s) - chemistry , hydrogen bond , quadruple bond , computational chemistry , organic chemistry , bond length , bond order , molecule
Blue‐shifted dihydrogen bonds were predicted to be present in a number of non‐covalent complexes including F 3 C—H…H—Be—X, F 3 C—H…H—Mg—X, F 3 C—H…H 4 Si, F 3 Si—H…H—Li, F 3 Si—H…H—Be—X, F 3 Si—H…H—Mg—X, and F 3 Si—H…H 4 Si (X = H, F, Cl and CH 3 ). 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.
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