title: Electronic origin of the structural versatility in linear trichromium complexes of dipyridylamide.
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.
authors.affiliation: Laboratoire de Chimie Quantique, UMR 7551, CNRS, Université Louis Pasteur, 4 rue Blaise Pascal, F-67000 Strasbourg, France.
authors.forename: N
authors.initials: N
authors.lastname: Benbellat
authors.forename: M M
authors.initials: MM
authors.lastname: Rohmer
authors.forename: M
authors.initials: M
authors.lastname: Bénard