High-level ab initio evidence of bipyramidal Cu5 clusters as fluxional Jahn-Teller molecules

Alexander O Mitrushchenkov; María Pilar de Lara-Castells

doi:10.1002/cphc.202300637

High-level ab initio evidence of bipyramidal Cu₅ clusters as fluxional Jahn-Teller molecules

Chemphyschem. 2023 Oct 4;24(19):e202300637. doi: 10.1002/cphc.202300637. Epub 2023 Sep 22.

Authors

Alexander O Mitrushchenkov¹, María Pilar de Lara-Castells²

Affiliations

¹ Université Paris-Est, Laboratoire de Modélisation et Simulation Multi Echelle UMR 8208 CNRS, Univ Gustave Eiffel, 5 Bd Descartes, 77454, Marne la Vallée, Cedex 2, France.
² Instituto de Física Fundamental (AbinitSim Unit), CSIC, Serrano 123, 28006, Madrid, Spain.

PMID: 37737459
DOI: 10.1002/cphc.202300637

Abstract

The front cover artwork is provided by María Pilar de Lara-Castells, Head of the AbinitFot Group at IFF-CSIC (Madrid), Coordinator of the National Project "COSYES", and Chair of the COST Action CA21101 "COSY", and Alexander O. Mitrushchenkov from the Université Paris-Est. The image shows the connection between the Jahn-Teller effect featured by bypiramidal Cu₅ clusters and the property of fluxionality. Cover design by Katarzyna Krupka. Read the full text of the Research Article at 10.1002/cphc.202300317.