Synthesis, crystal structure, spectroscopic and magnetic properties of a novel unprecedented three-dimensional CuII coordination compound of of 1,2-Bis(1,2,4-triazol-4-yl)ethane

Yann Garcia, Petra Van Koningsbruggen, Huub Kooijman, Anthony L. Spek, Jaap G. Haasnoot, Olivier Kahn

Research output: Contribution to journalArticle

Abstract

A novel three-dimensional copper(II) compound of the formula [Cu3(btre)5(H2O)2](ClO4)6·H2O (btre = 1,2-bis(1,2,4-triazol-4-yl)ethane) has been synthesized. The structure has been solved at 150 K by single-crystal X-ray analysis. The compound [C30H44Cu3N30O2·6(ClO4)·H2O] crystallizes in the triclinic space group P1bar with a = 12.488(1), b = 13.195(1), c = 19.756(2) Å, α = 78.959(8), β = 84.553(8), γ = 63.869(7)°, V = 2868.4(5) Å3, Z = 2 (trinuclear CuII units), 6484 reflections [I > 4σ(I)], RF = 0.0581, wR2 = 0.1214. The structure of this coordination polymer consists of a three-dimensional network built up from linear trinuclear CuII cations of formula [Cu3(btre)5(H2O)2]6+. This crystallographically independent unit comprises a linear array of three CuII ions linked by triple N1,N2-1,2,4-triazole bridges, yielding Cu1–Cu2 = 3.893(1) Å and Cu2–Cu3 = 3.889(1) Å. These linear trinuclear CuII units are linked by various pathways involving tridentate and tetradentate bridging btre ligands, which yields an unprecedented three-dimensional network. The CuII ions are weakly antiferromagnetically coupled with J = –1.01(2) cm–1 (based on the Hamiltonian: H = –J[SCu1·SCu2 + SCu2·SCu3] using the expression for the molar magnetic susceptibility S = 1/2 of a linear trinuclear system). The nature and the magnitude of the antiferromagnetic exchange have been discussed on the basis of the structural featu

Original languageEnglish
Pages (from-to)307-314
Number of pages8
JournalEuropean Journal of Inorganic Chemistry
Volume2000
Issue number2
DOIs
Publication statusPublished - Feb 2000

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Ethane
Magnetic properties
Crystal structure
Copper compounds
Ions
Hamiltonians
X ray analysis
Magnetic susceptibility
Linear systems
Cations
Polymers
Single crystals
Ligands
perchlorate
1,2,4-triazole

Keywords

  • copper
  • magnetic properties
  • supramolecular chemistry
  • three-dimensional architecture

Cite this

@article{d23de6e089ae439fb07b852c9acfa73b,
title = "Synthesis, crystal structure, spectroscopic and magnetic properties of a novel unprecedented three-dimensional CuII coordination compound of of 1,2-Bis(1,2,4-triazol-4-yl)ethane",
abstract = "A novel three-dimensional copper(II) compound of the formula [Cu3(btre)5(H2O)2](ClO4)6·H2O (btre = 1,2-bis(1,2,4-triazol-4-yl)ethane) has been synthesized. The structure has been solved at 150 K by single-crystal X-ray analysis. The compound [C30H44Cu3N30O2·6(ClO4)·H2O] crystallizes in the triclinic space group P1bar with a = 12.488(1), b = 13.195(1), c = 19.756(2) {\AA}, α = 78.959(8), β = 84.553(8), γ = 63.869(7)°, V = 2868.4(5) {\AA}3, Z = 2 (trinuclear CuII units), 6484 reflections [I > 4σ(I)], RF = 0.0581, wR2 = 0.1214. The structure of this coordination polymer consists of a three-dimensional network built up from linear trinuclear CuII cations of formula [Cu3(btre)5(H2O)2]6+. This crystallographically independent unit comprises a linear array of three CuII ions linked by triple N1,N2-1,2,4-triazole bridges, yielding Cu1–Cu2 = 3.893(1) {\AA} and Cu2–Cu3 = 3.889(1) {\AA}. These linear trinuclear CuII units are linked by various pathways involving tridentate and tetradentate bridging btre ligands, which yields an unprecedented three-dimensional network. The CuII ions are weakly antiferromagnetically coupled with J = –1.01(2) cm–1 (based on the Hamiltonian: H = –J[SCu1·SCu2 + SCu2·SCu3] using the expression for the molar magnetic susceptibility S = 1/2 of a linear trinuclear system). The nature and the magnitude of the antiferromagnetic exchange have been discussed on the basis of the structural featu",
keywords = "copper, magnetic properties, supramolecular chemistry, three-dimensional architecture",
author = "Yann Garcia and {Van Koningsbruggen}, Petra and Huub Kooijman and Spek, {Anthony L.} and Haasnoot, {Jaap G.} and Olivier Kahn",
year = "2000",
month = "2",
doi = "10.1002/(SICI)1099-0682(200002)2000:2<307::AID-EJIC307>3.0.CO;2-M",
language = "English",
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}

Synthesis, crystal structure, spectroscopic and magnetic properties of a novel unprecedented three-dimensional CuII coordination compound of of 1,2-Bis(1,2,4-triazol-4-yl)ethane. / Garcia, Yann; Van Koningsbruggen, Petra; Kooijman, Huub; Spek, Anthony L.; Haasnoot, Jaap G.; Kahn, Olivier.

In: European Journal of Inorganic Chemistry, Vol. 2000, No. 2, 02.2000, p. 307-314.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Synthesis, crystal structure, spectroscopic and magnetic properties of a novel unprecedented three-dimensional CuII coordination compound of of 1,2-Bis(1,2,4-triazol-4-yl)ethane

AU - Garcia, Yann

AU - Van Koningsbruggen, Petra

AU - Kooijman, Huub

AU - Spek, Anthony L.

AU - Haasnoot, Jaap G.

AU - Kahn, Olivier

PY - 2000/2

Y1 - 2000/2

N2 - A novel three-dimensional copper(II) compound of the formula [Cu3(btre)5(H2O)2](ClO4)6·H2O (btre = 1,2-bis(1,2,4-triazol-4-yl)ethane) has been synthesized. The structure has been solved at 150 K by single-crystal X-ray analysis. The compound [C30H44Cu3N30O2·6(ClO4)·H2O] crystallizes in the triclinic space group P1bar with a = 12.488(1), b = 13.195(1), c = 19.756(2) Å, α = 78.959(8), β = 84.553(8), γ = 63.869(7)°, V = 2868.4(5) Å3, Z = 2 (trinuclear CuII units), 6484 reflections [I > 4σ(I)], RF = 0.0581, wR2 = 0.1214. The structure of this coordination polymer consists of a three-dimensional network built up from linear trinuclear CuII cations of formula [Cu3(btre)5(H2O)2]6+. This crystallographically independent unit comprises a linear array of three CuII ions linked by triple N1,N2-1,2,4-triazole bridges, yielding Cu1–Cu2 = 3.893(1) Å and Cu2–Cu3 = 3.889(1) Å. These linear trinuclear CuII units are linked by various pathways involving tridentate and tetradentate bridging btre ligands, which yields an unprecedented three-dimensional network. The CuII ions are weakly antiferromagnetically coupled with J = –1.01(2) cm–1 (based on the Hamiltonian: H = –J[SCu1·SCu2 + SCu2·SCu3] using the expression for the molar magnetic susceptibility S = 1/2 of a linear trinuclear system). The nature and the magnitude of the antiferromagnetic exchange have been discussed on the basis of the structural featu

AB - A novel three-dimensional copper(II) compound of the formula [Cu3(btre)5(H2O)2](ClO4)6·H2O (btre = 1,2-bis(1,2,4-triazol-4-yl)ethane) has been synthesized. The structure has been solved at 150 K by single-crystal X-ray analysis. The compound [C30H44Cu3N30O2·6(ClO4)·H2O] crystallizes in the triclinic space group P1bar with a = 12.488(1), b = 13.195(1), c = 19.756(2) Å, α = 78.959(8), β = 84.553(8), γ = 63.869(7)°, V = 2868.4(5) Å3, Z = 2 (trinuclear CuII units), 6484 reflections [I > 4σ(I)], RF = 0.0581, wR2 = 0.1214. The structure of this coordination polymer consists of a three-dimensional network built up from linear trinuclear CuII cations of formula [Cu3(btre)5(H2O)2]6+. This crystallographically independent unit comprises a linear array of three CuII ions linked by triple N1,N2-1,2,4-triazole bridges, yielding Cu1–Cu2 = 3.893(1) Å and Cu2–Cu3 = 3.889(1) Å. These linear trinuclear CuII units are linked by various pathways involving tridentate and tetradentate bridging btre ligands, which yields an unprecedented three-dimensional network. The CuII ions are weakly antiferromagnetically coupled with J = –1.01(2) cm–1 (based on the Hamiltonian: H = –J[SCu1·SCu2 + SCu2·SCu3] using the expression for the molar magnetic susceptibility S = 1/2 of a linear trinuclear system). The nature and the magnitude of the antiferromagnetic exchange have been discussed on the basis of the structural featu

KW - copper

KW - magnetic properties

KW - supramolecular chemistry

KW - three-dimensional architecture

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U2 - 10.1002/(SICI)1099-0682(200002)2000:2<307::AID-EJIC307>3.0.CO;2-M

DO - 10.1002/(SICI)1099-0682(200002)2000:2<307::AID-EJIC307>3.0.CO;2-M

M3 - Article

VL - 2000

SP - 307

EP - 314

JO - European Journal of Inorganic Chemistry

JF - European Journal of Inorganic Chemistry

SN - 1434-1948

IS - 2

ER -