title: Substantial exchange coupling for {Mo-NCS-M} combination: illustration for 1-D [{Mo(NCS)6}{NiL}2(NCS)]n.
abstract: An antiferromagnetic interaction of J = -51 cm(-1) has been obtained in a NCS-bridged {Mo(III)-Ni} compound (i.e. [{Mo(NCS)(6)}{NiL}(2)(NCS)](n)), a value twice as large as for the homologous {Cr(III)-Ni} derivative. The DFT calculated spin distribution on {Mo(NCS)(6)}(3-) reveals noticeable spin on the S atoms.
authors.affiliation: CNRS, LCC (Laboratoire de Chimie de Coordination), 205, route de Narbonne, F-31077 Toulouse, France.
authors.forename: Maliheh
authors.initials: M
authors.lastname: Mousavi
authors.forename: Virgine
authors.initials: V
authors.lastname: Béreau
authors.forename: Cédric
authors.initials: C
authors.lastname: Desplanches
authors.forename: Carine
authors.initials: C
authors.lastname: Duhayon
authors.forename: Jean-Pascal
authors.initials: JP
authors.lastname: Sutter