Paital Alok Ranjan, Wu A-Qing, Guo Guo-Cong, Aromí Guillem, Ribas-Ariño Jordi, Ray Debashis
Department of Chemistry, Indian Institute of Technology, Kharagpur 721 302, India.
Inorg Chem. 2007 Apr 16;46(8):2947-9. doi: 10.1021/ic062109z. Epub 2007 Mar 22.
Two neutral dinuclear metallamacrocycles, [Cu2(hbca)2].2CHCl3.2H2O (1) and [Zn2(hbca)2].7H2O (2), have been assembled from reactions of the new rigid carbazole-based ligand H2hbca [N,N'-bis(2-hydroxobenzylidene)-9H-carbazole-3,6-diamine] with copper(II) or zinc(II) acetate. The extended aromatic ligand spacer is responsible for intermetallic antiferromagnetic exchange, which is rationalized using the spin-polarization formalism with the help of density functional theory calculations.
