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The CH⋅⋅⋅π Hydrogen Bond in the Benzene–Trifluoromethane Adduct: A Rotational Study
Author(s) -
López Juan C.,
Caminati Walther,
Alonso José L.
Publication year - 2005
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200503097
Subject(s) - benzene , adduct , dissociation (chemistry) , bond dissociation energy , hydrogen bond , chemistry , hydrogen , medicinal chemistry , computational chemistry , molecule , organic chemistry
Free to rotate : The rotational spectrum of unlabeled and 13 C‐labeled benzene species reveals that the benzene–trifluoromethane complex is stabilized by a CH⋅⋅⋅π weak hydrogen bond and undergoes an almost‐free rotation of the two subunits with respect to each other (see picture). The estimated dissociation energy is 8.4 kJ mol −1 .