American Chemical Society
ic062109z_si_005.cif (16.28 kB)

Two Cu2 and Zn2 Metallamacrocycles Featuring a Novel Extended π-Conjugated Carbazole Bridge

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posted on 2007-04-16, 00:00 authored by Alok Ranjan Paital, A-Qing Wu, Guo, Guillem Aromí, Jordi Ribas-Ariño, Debashis Ray
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.