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Complex internal dynamics of double molecule revealed by CUI researchers

In a combined spectroscopic and theoretical study, CUI researcher Melanie Schnell and coworkers solved the 20-year old mystery of the structure and dynamics of the benzene dimer. The benzene dimer is a prototype molecule for non-dispersive interaction forces. Non-dispersive interaction forces also play an important role in biological systems. The equilibrium structure assumes that of a tilted T-shape, consisting of a benzene moiety forming the cap and one forming the stem. The observed complex rotational spectrum of the benzene dimer reveals the underlying feasible tunneling motions of the benzene dimer: a concerted motion of cap performing a tilt and of internal rotaton of the stem about its C6 axis. Only this concerted motion in combination with quasi-free internal rotation of the benzene moiety in the cap can explain the observed characteristic molecular spectra.

This work was published as Very Important Paper with cover picture in Angewandte Chemie International Edition on April, 15th 2013 (early view):

M. Schnell, U. Erlekam, P.R. Bunker, G. von Helden, J.-U. Grabow, G. Meijer, A. van der Avoird, Structure of the Benzene Dimer – Governed by Dynamics, Angewandte Chemie International Edition 2013.  http://onlinelibrary.wiley.com/doi/10.1002/anie.201300653/abstract