title: Two Cu2 and Zn2 metallamacrocycles featuring a novel extended pi-conjugated carbazole bridge.
abstract: 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.
authors: Department of Chemistry, Indian Institute of Technology, Kharagpur 721 302, India.
authors: Alok Ranjan
authors: AR
authors: Paital
authors: A-Qing
authors: AQ
authors: Wu
authors: Guo-Cong
authors: GC
authors: Guo
authors: Guillem
authors: G
authors: Aromí
authors: Jordi
authors: J
authors: Ribas-Ariño
authors: Debashis
authors: D
authors: Ray
mesh_terms: D002227:Carbazoles / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D008024:Ligands; D047028:Macrocyclic Compounds / Q000737:chemistry*; D008956:Models, Chemical; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*; D011789:Quantum Theory; D013696:Temperature; D015032:Zinc / Q000737:chemistry*
chemical_list: D002227:Carbazoles; D008024:Ligands; D047028:Macrocyclic Compounds; D009942:Organometallic Compounds; C041514:carbazole; D003300:Copper; D015032:Zinc