Our work is supported financially by the Schweizerischer Nationalfonds and ETH Zürich (including C4 and CSCS). We acknowledge discussions with J. Stohner.
Parity Violation Dominates the Dynamics of Chirality in Dichlorodisulfane
Article first published online: 16 NOV 2001
Copyright © 2001 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany
Angewandte Chemie International Edition
Volume 40, Issue 22, pages 4195–4198, November 19, 2001
How to Cite
Berger, R., Gottselig, M., Quack, M. and Willeke, M. (2001), Parity Violation Dominates the Dynamics of Chirality in Dichlorodisulfane . Angew. Chem. Int. Ed., 40: 4195–4198. doi: 10.1002/1521-3773(20011119)40:22<4195::AID-ANIE4195>3.0.CO;2-W
- Issue published online: 16 NOV 2001
- Article first published online: 16 NOV 2001
- Manuscript Received: 15 JUN 2001
- ab initio calculations;
- electroweak interactions;
- parity violation;
- torsional tunneling splitting
Meaninglessly small would be the effects from parity violation according to the traditional point of view on the structure and dynamics of chiral molecules; enantiomers would thus exist as symmetry-related structures, which are de facto stable because of very long tunneling times. With ClSSCl as the first example, electroweak and tunneling dynamics calculations demonstrate that the de lege asymmetry arising from the parity-violating energy difference ΔEpv between the two enantiomers ((P)- and (M)-ClSSCl, the figure shows the torsional potentials) dominates by far over the tunneling splitting in the symmetrical case. These results are of fundamental interest for our concept of molecular chirality.