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Structure of the Benzene Dimer—Governed by Dynamics
Author(s) -
Schnell Melanie,
Erlekam Undine,
Bunker P. R.,
von Helden Gert,
Grabow JensUwe,
Meijer Gerard,
van der Avoird Ad
Publication year - 2013
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.201300653
Subject(s) - dimer , benzene , quantum tunnelling , chemical physics , computer science , tilt (camera) , dynamics (music) , service (business) , molecule , rotation (mathematics) , physics , statistical physics , chemistry , crystallography , information retrieval , condensed matter physics , quantum mechanics , mathematics , business , artificial intelligence , nuclear magnetic resonance , geometry , organic chemistry , marketing , acoustics
The benzene dimer, an important prototype for studying noncovalent interactions, exhibits characteristic splitting patterns in its rotational spectrum, which for a long time were not understood. A new theoretical model reveals their origin: a concerted internal motion involving sixfold hindered rotation tunneling of the molecule forming the stem of the T‐shaped structure and tilt tunneling of the cap.