Issue 22, 2001
From the journal:

Chemical Communications

Electronic origin of the structural versatility in linear trichromium complexes of dipyridylamide

Noureddine Benbellat,a   Marie-Madeleine Rohmer*a  and  Marc Bénard*a  

* Corresponding authors

a Laboratoire de Chimie Quantique, UMR 7551, CNRS and Université Louis Pasteur, 4 rue Blaise Pascal, Strasbourg, France.
E-mail: benard@quantix.u-strasbg.fr; rohmer@quantix.u-strasbg.fr

Abstract

Spin unrestricted DFT calculations on Cr3(dpa)4Cl2 (dpa = dipyridylamide) suggest that the linear (Cr3)6+ metal framework could adopt either a symmetric conformation, or a strongly nonsymmetric one, depending on the nature of the spin coupling between the localized metal electrons.

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Article information

DOI
https://doi.org/10.1039/B106100N
Article type
Communication
Submitted
10 Jul 2001
Accepted
02 Oct 2001
First published
31 Oct 2001

Chem. Commun., 2001, 2368-2369

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Electronic origin of the structural versatility in linear trichromium complexes of dipyridylamide

N. Benbellat, M. Rohmer and M. Bénard, Chem. Commun., 2001, 2368 DOI: 10.1039/B106100N

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