title: Influence of electron-attractor substituents on the magnetic properties of Ni(II) string complexes.
abstract: Density functional theory calculations carried out on the anionic Ni(II) chain complexes {trinickeltetrakis[2,6-bis(amido)pyridine]}2- and {trinickeltetrakis[N,N'-bis(sulfonyl)pyridyldiamido]}2- show that the electron-attractor character of the sulfonyl substituent modifies the basicity of the amido ligand ends so as to raise the electronic state of the underlying metal atom from low spin (S = 0) to high spin (S = 1). The computed elongation of the outermost Ni-N bonds with the grafting of SO2H substituents is in agreement with this interpretation.
authors.affiliation: Laboratoire de Chimie Quantique, Institut de Chimie, LC3-UMR 7177, CNRS-ULP, Strasbourg, France.
authors.forename: Xavier
authors.initials: X
authors.lastname: López
authors.forename: Marc
authors.initials: M
authors.lastname: Bénard
authors.forename: Marie-Madeleine
authors.initials: MM
authors.lastname: Rohmer