Issue 11, 2003
From the journal:

Chemical Communications

The influence of the Jahn–Teller effect and of heteroligands on the reactivity of Cu2+†

Christian F. Schwenka  and  Bernd M. Rode*a  

* Corresponding authors

a Institute of General, Inorganic and Theoretical Chemistry, University of Innsbruck, Innrain 52a, A-6020 Innsbruck, Austria
E-mail: bernd.m.rode@uibk.ac.at
Fax: +43/512/507-2714

Abstract

Experimentally hardly accessible Jahn–Teller inversions and the influence of heteroligands on the reactivity of Cu2+ are characterized by ab initio QM/MM MD simulations of Cu2+ ion and its amino complexes in water.

Graphical abstract: The influence of the Jahn–Teller effect and of heteroligands on the reactivity of Cu2+

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Article information

DOI
https://doi.org/10.1039/B301709E
Article type
Communication
Submitted
13 Feb 2003
Accepted
28 Mar 2003
First published
28 Apr 2003

Chem. Commun., 2003, 1286-1287

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The influence of the Jahn–Teller effect and of heteroligands on the reactivity of Cu2+

C. F. Schwenk and B. M. Rode, Chem. Commun., 2003, 1286 DOI: 10.1039/B301709E

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