Substantial exchange coupling for {Mo-NCS-M} combination: illustration for 1-D [{Mo(NCS)6}{NiL}2(NCS)]n.

Maliheh Mousavi (1) , Virginie Béreau (1) , Cédric Desplanches (2) , Carine Guyard-Duhayon (1) , Jean-Pascal Sutter (1)

1 LCC - Laboratoire de chimie de coordination
2 ICMCB - Institut de Chimie de la Matière Condensée de Bordeaux

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.

Domaines: Matériaux

Maliheh Mousavi, Virginie Béreau, Cédric Desplanches, Carine Guyard-Duhayon, Jean-Pascal Sutter. Substantial exchange coupling for {Mo-NCS-M} combination: illustration for 1-D [{Mo(NCS)6}{NiL}2(NCS)]n.. Chemical Communications, 2010, 46 (40), pp.7519-7521. ⟨10.1039/c0cc02498h⟩. ⟨hal-00530396⟩