Relatively strong intramolecular antiferromagnetic coupling in a neutral Cr(III)2Nb(V)2 heterobimetallic molecular square

Willian X C Oliveira; Cynthia L M Pereira; Carlos B Pinheiro; Joan Cano; Francesc Lloret; Miguel Julve

doi:10.1039/c5cc04285b

Relatively strong intramolecular antiferromagnetic coupling in a neutral Cr(III)2Nb(V)2 heterobimetallic molecular square

Chem Commun (Camb). 2015 Jul 28;51(59):11806-9. doi: 10.1039/c5cc04285b.

Authors

Willian X C Oliveira¹, Cynthia L M Pereira, Carlos B Pinheiro, Joan Cano, Francesc Lloret, Miguel Julve

Affiliation

¹ Departamento de Química, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais, Av. Antônio Carlos, 6627, Pampulha, BH, MG, 31270-901, Brazil. cynthialopes@ufmg.br.

PMID: 26108981
DOI: 10.1039/c5cc04285b

Abstract

A relatively large antiferromagnetic interaction between the two chromium(III) ions from the molecular square [{Cr(dmso)4}2{Nb(μ-O)2(C2O4)2}2] () (J = -12.0 cm(-1)) is mediated by the diamagnetic oxo-Nb(V)-oxo pathway, its nature and magnitude being substantiated by DFT type theoretical calculations.