title: On the mechanism of the photoinduced magnetism in copper octacyanomolybdates.
abstract: Ab initio calculations show that a possible mechanism for the photomagnetism in copper octacyanomolybdate compounds consists of the initial excitation of the diamagnetic Cu(II)-Mo(IV-CS) pair to a Cu(II)-Mo(IV-T) state, whose geometry relaxation stabilizes the magnetic doublet and quartet states.
authors.affiliation: Departament de Química Física i Inorgànica, Universitat Rovira i Virgili, Carrer Marcellí Domingo, s/n, 43007, Tarragona, Spain. mariaangels.carvajal@urv.cat
authors.forename: Maria-Angels
authors.initials: MA
authors.lastname: Carvajal
authors.forename: Mar
authors.initials: M
authors.lastname: Reguero
authors.forename: Coen
authors.initials: C
authors.lastname: de Graaf