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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)

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)
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)
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.
magnetism, low-temperature studies, copper, bridging ligand, crystal structure
1434-1948
1712-1718
Deng, Yu-Heng
7b9b6c41-30fe-4a15-b38c-1c0cc77e41e5
Liu, Juan
1159231e-710b-4d4a-9bc2-a4bc941609fd
Wu, Biao
9e852bfc-2ba0-4bcd-93a2-09f145946a2e
Ambrus, Christina
1daf47e1-777c-4d37-9d46-2bf4e7ae307b
Keene, Tony D.
fb859c26-6a1d-4c43-a15f-f329bc8d34d7
Waldmann, Oliver
ae9850a7-3b8b-4f04-b955-1e4a4e257794
Liu, Shi-Xia
546635e3-8931-436e-8456-298ac2a3134d
Decurtins, Silvio
331985a5-2121-47e4-a4b2-2fd09f8cabfd
Yang, Xiao-Juan
7d6bb0a9-7886-457c-97d6-be0b4dfd89cf
Deng, Yu-Heng
7b9b6c41-30fe-4a15-b38c-1c0cc77e41e5
Liu, Juan
1159231e-710b-4d4a-9bc2-a4bc941609fd
Wu, Biao
9e852bfc-2ba0-4bcd-93a2-09f145946a2e
Ambrus, Christina
1daf47e1-777c-4d37-9d46-2bf4e7ae307b
Keene, Tony D.
fb859c26-6a1d-4c43-a15f-f329bc8d34d7
Waldmann, Oliver
ae9850a7-3b8b-4f04-b955-1e4a4e257794
Liu, Shi-Xia
546635e3-8931-436e-8456-298ac2a3134d
Decurtins, Silvio
331985a5-2121-47e4-a4b2-2fd09f8cabfd
Yang, Xiao-Juan
7d6bb0a9-7886-457c-97d6-be0b4dfd89cf

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).

Record type: Article

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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Published date: April 2008
Keywords: magnetism, low-temperature studies, copper, bridging ligand, crystal structure
Organisations: Organic Chemistry: Synthesis, Catalysis and Flow

Identifiers

Local EPrints ID: 351066
URI: http://eprints.soton.ac.uk/id/eprint/351066
ISSN: 1434-1948
PURE UUID: 69c6a23f-b1f2-43f8-8469-30b2037d874b
ORCID for Tony D. Keene: ORCID iD orcid.org/0000-0003-2297-4327

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Date deposited: 16 Apr 2013 08:45
Last modified: 10 Sep 2019 00:36

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Contributors

Author: Yu-Heng Deng
Author: Juan Liu
Author: Biao Wu
Author: Christina Ambrus
Author: Tony D. Keene ORCID iD
Author: Oliver Waldmann
Author: Shi-Xia Liu
Author: Silvio Decurtins
Author: Xiao-Juan Yang

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