Substantial exchange coupling for {Mo-NCS-M} combination: illustration for 1-D [{Mo(NCS)6}{NiL}2(NCS)]n.
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.
Mousavi
Maliheh
M
CNRS, LCC (Laboratoire de Chimie de Coordination), 205, route de Narbonne, F-31077 Toulouse, France.
Béreau
Virgine
V
Desplanches
Cédric
C
Duhayon
Carine
C
Sutter
Jean-Pascal
JP