Heavy atom tunnelling on XeF6 pseudorotation
Author:
Affiliation:
1. Department of Chemistry
2. Ben-Gurion University of the Negev
3. Beer-Sheva 841051
4. Israel
5. Department of Analytical Chemistry
Abstract
XeF6 has multiple C3v equivalent minima due to the Jahn–Teller effect. Through computational means we prove that the rearrangement between isomers occurs through fluorine quantum mechanical tunnelling.
Funder
Israel Science Foundation
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP03205K
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