Relative strengths of the O-H•••Cl and O-H•••F hydrogen bonds

被引:66
作者
Caminati, W [1 ]
Melandri, S [1 ]
Maris, A [1 ]
Ottaviani, P [1 ]
机构
[1] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy
关键词
hydrogen bonding; molecular complexes; molecular dynamics; rotational spectroscopy; supersonic jets;
D O I
10.1002/anie.200504486
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
(Figure Presented) Which bond goes where? The observed conformer of H 2O⋯ClFCH2 displays one O-H⋯Cl and two weak C-H⋯O hydrogen-bonding interactions. The dissociation energy of this conformer is estimated to be 8.5 kJ mol-1 from the centrifugal distortion effects. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.
引用
收藏
页码:2438 / 2442
页数:5
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