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Inside Back Cover: Structure and Fluxionality of B 13 + Probed by Infrared Photodissociation Spectroscopy (Angew. Chem. Int. Ed. 2/2017)
Author(s) -
Fagiani Matias R.,
Song Xiaowei,
Petkov Petko,
Debnath Sreekanta,
Gewinner Sandy,
Schöllkopf Wieland,
Heine Thomas,
Fielicke André,
Asmis Knut R.
Publication year - 2017
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201610954
Subject(s) - spectroscopy , boron , chemistry , infrared spectroscopy , ring (chemistry) , density functional theory , crystallography , ion , cluster (spacecraft) , nuclear magnetic resonance spectroscopy , planar , atomic physics , computational chemistry , physics , stereochemistry , computer graphics (images) , organic chemistry , quantum mechanics , computer science , programming language
The magic number boron cluster B 13 + previously termed as a “molecular Wankel motor”, is predicted to exhibit an exceptional fluxionality already at low temperatures. In their Communication on page 505 ff., K. R. Asmis et al. spectroscopically confirm the structural assignment to a planar boron double wheel species and present the first experimental evidence for the quasi‐rotation of the inner B 3 ‐ring using cryogenic ion vibrational spectroscopy of B 13 + combined with density functional theory computations and Born–Oppenheimer molecular dynamics simulations.