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キーワード:
ab initio calculations;
internal rotation;
noncovalent interactions;
rotational spectroscopy;
tunneling
要旨:
Thumbnail image of graphical abstract
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.
