Tracing the sources of the different magnetic behavior in the two phases of the bistable (BDTA)2[Co(mnt)2] compound

Sergi Vela; Mercè Deumal; Jordi Ribas-Arino; Juan J Novoa

doi:10.1021/ic301085t

Tracing the sources of the different magnetic behavior in the two phases of the bistable (BDTA)2[Co(mnt)2] compound

Inorg Chem. 2012 Aug 20;51(16):8646-8. doi: 10.1021/ic301085t. Epub 2012 Jul 31.

Authors

Sergi Vela¹, Mercè Deumal, Jordi Ribas-Arino, Juan J Novoa

Affiliation

¹ Departament de Química Física & IQTCUB, Facultat de Química, Universitat de Barcelona, Martí i Franquès 1, Barcelona, Spain.

PMID: 22849752
DOI: 10.1021/ic301085t

Abstract

A complete computational study of the magnetic properties of the two known phases of the bistable (BDTA)(2)[Co(mnt)(2)] compound is presented. The origin of their different magnetic properties can be traced to a variation in the values of the g tensor, together with a hitherto unknown change in the J(AB) values and their magnetic topology.