Comparing models for S = 1/2 Heisenberg antiferromagnetic chains: the validity of different approaches for describing a one-dimensional coordination polymer, [CuII(HL)2(4,4'-bpy)]n·2nH2O(H2L = 3-nitrophthalic acid, bpy = bipyridine)

Deng, Yu-Heng, Liu, Juan, Wu, Biao, Ambrus, Christina, Keene, Tony D., Waldmann, Oliver, Liu, Shi-Xia, Decurtins, Silvio and Yang, Xiao-Juan (2008) Comparing models for S = 1/2 Heisenberg antiferromagnetic chains: the validity of different approaches for describing a one-dimensional coordination polymer, [CuII(HL)2(4,4'-bpy)]n·2nH2O(H2L = 3-nitrophthalic acid, bpy = bipyridine). European Journal of Inorganic Chemistry, 2008 (10), 1712-1718. (doi:10.1002/ejic.200701134).

Abstract

We have synthesized a new one-dimensional coordination polymer, [CuII(HL)2(4,4?-bpy)]n·2nH2O (1), (HL– = monodeprotonated 3-nitrophthalic acid, 4,4?-bpy = 4,4?-bipyridine) consisting of infinite chains of [CuII(HL)2(4,4?-bpy)]n and have investigated its structure and magnetic properties. Compound 1 crystallizes in the monoclinic C2/c space group with the [CuII(HL)2(4,4?-bpy)]n chains running parallel to the b axis. The chains are linked together by hydrogen bonding between the HL– groups and water molecules to form the three-dimensional crystal structure. The magnetic susceptibility of 1 can be well described using an antiferromagnetic S = 1/2 chain model with g = 2.11(1) and 2J = –0.61(1) cm–1. Several techniques for describing the susceptibility of S =1/2 chains are examined to compare their validity at lowvalues of kT/|2J|, including exact numerical full-matrix diagonalization techniques, from which the magnetization curve of 1 could be calculated. The calculation fits well with the measured magnetization data.

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Contributors

Author: Tony D. Keene

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