Not Completely Innocent: How Argon Binding Perturbs Cationic Copper Clusters

Zahra Jamshidi; Olga V. Lushchikova; Joost M. Bakker; Lucas Visscher

doi:10.1021/acs.jpca.0c07771

Not Completely Innocent: How Argon Binding Perturbs Cationic Copper Clusters

Zahra Jamshidi^*
, Olga V. Lushchikova
, Joost M. Bakker
, Lucas Visscher

^*Corresponding author for this work

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Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

Argon is often considered as an innocent probe that can be attached and detached to study the structure of a particular species without perturbing the species too much. We have investigated whether this assumption also holds for small copper cationic clusters and demonstrated that small but significant charge transfer from argon to metal changes the remaining binding positions, leading in general, to weaker binding of other argon atoms. The exception is binding to just one copper ion, where the binding of the first argon facilitates the binding of the second.

Original language	English
Pages (from-to)	9004-9010
Number of pages	7
Journal	Journal of Physical Chemistry A
Volume	124
Issue number	43
Early online date	15 Oct 2020
DOIs	https://doi.org/10.1021/acs.jpca.0c07771
Publication status	Published - 29 Oct 2020

Funding

This work is part of the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) Materials for Sustainability program, funded under grant #739.017.008. We gratefully acknowledge NWO for the support of the FELIX Laboratory, and NWO-EW for computational time on the Cartesius computer cluster (grant 16327). Z.J. acknowledges the Holland Research School for Molecular Chemistry for a fellowship.

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Not Completely Innocent: How Argon Binding Perturbs Cationic Copper Clusters

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