Synthesis, crystal structure and magnetic properties of [Cu6(tidah)2Cl10(H2O)4](H2O)6, a unique imidazolato and chloro-bridged hexanuclear copper(II) compound

G. J. A. A. Koolhaas, W. L. Driessen, Petra Van Koningsbruggen, J. Reedijk , A. L. Spek

Research output: Contribution to journalArticle

Abstract

The novel hexanuclear copper(II) compound [Cu6(tidah)2Cl10(H2O)4]·6H2O was obtained by the reaction of copper(II) chloride with the polyimidazole 1,1,6,6-tetrakis(imidazol-2-yl)-2,5-diazahexane (Htidah). This compound crystallizes in the monoclinic space group P21/c, with a= 7.915(5), b= 16.745(6), c= 20.954(8)Å, β= 95.41(4)°, Z = 2. The structure was solved using direct methods and refined on F by full-matrix least squares. Convergence was reached at R= 0.097 for 991 reflections with l > 2σ(l). Structure analysis shows a complex molecule with six copper ions in three different co-ordination environments. The asymmetric unit, which comprises half a molecule, consists of a trinuclear subunit. In each subunit two copper ions are linked by an imidazolate anion, the Cu Cu distance is 5.7226(8)Å. The two subunits are linked by four asymmetric copper to chloride to copper bridges, with Cu Cu distances of 4.053(9) and 4.696(9)Å. The magnetic super-exchange interaction via the bridging imidazolate ligand seems to be the most important magnetic interaction in this molecule. A fit of the magnetic susceptibility vs. the temperature, in the 6–250 K range, shows a fair agreement for a dinuclear S =½ species, with an energy separation between the spin singlet ground state and the triplet excited state of 90 cm–1.
Original languageEnglish
Pages (from-to)3803-3807
Number of pages5
JournalDalton Transactions
Issue number24
DOIs
Publication statusPublished - 1993

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Copper compounds
Copper
Magnetic properties
Crystal structure
Molecules
Ions
Exchange interactions
Magnetic susceptibility
Excited states
Ground state
Anions
Chlorides
Ligands
Temperature

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@article{32c6cd0a053f44fa8734a1372b9866d5,
title = "Synthesis, crystal structure and magnetic properties of [Cu6(tidah)2Cl10(H2O)4](H2O)6, a unique imidazolato and chloro-bridged hexanuclear copper(II) compound",
abstract = "The novel hexanuclear copper(II) compound [Cu6(tidah)2Cl10(H2O)4]·6H2O was obtained by the reaction of copper(II) chloride with the polyimidazole 1,1,6,6-tetrakis(imidazol-2-yl)-2,5-diazahexane (Htidah). This compound crystallizes in the monoclinic space group P21/c, with a= 7.915(5), b= 16.745(6), c= 20.954(8){\AA}, β= 95.41(4)°, Z = 2. The structure was solved using direct methods and refined on F by full-matrix least squares. Convergence was reached at R= 0.097 for 991 reflections with l > 2σ(l). Structure analysis shows a complex molecule with six copper ions in three different co-ordination environments. The asymmetric unit, which comprises half a molecule, consists of a trinuclear subunit. In each subunit two copper ions are linked by an imidazolate anion, the Cu Cu distance is 5.7226(8){\AA}. The two subunits are linked by four asymmetric copper to chloride to copper bridges, with Cu Cu distances of 4.053(9) and 4.696(9){\AA}. The magnetic super-exchange interaction via the bridging imidazolate ligand seems to be the most important magnetic interaction in this molecule. A fit of the magnetic susceptibility vs. the temperature, in the 6–250 K range, shows a fair agreement for a dinuclear S =½ species, with an energy separation between the spin singlet ground state and the triplet excited state of 90 cm–1.",
author = "Koolhaas, {G. J. A. A.} and Driessen, {W. L.} and {Van Koningsbruggen}, Petra and J. Reedijk and Spek, {A. L.}",
year = "1993",
doi = "10.1039/DT9930003803",
language = "English",
pages = "3803--3807",
journal = "Dalton Transactions",
issn = "1477-9226",
publisher = "Royal Society of Chemistry",
number = "24",

}

Synthesis, crystal structure and magnetic properties of [Cu6(tidah)2Cl10(H2O)4](H2O)6, a unique imidazolato and chloro-bridged hexanuclear copper(II) compound. / Koolhaas, G. J. A. A.; Driessen, W. L. ; Van Koningsbruggen, Petra; Reedijk , J. ; Spek, A. L. .

In: Dalton Transactions, No. 24, 1993, p. 3803-3807.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Synthesis, crystal structure and magnetic properties of [Cu6(tidah)2Cl10(H2O)4](H2O)6, a unique imidazolato and chloro-bridged hexanuclear copper(II) compound

AU - Koolhaas, G. J. A. A.

AU - Driessen, W. L.

AU - Van Koningsbruggen, Petra

AU - Reedijk , J.

AU - Spek, A. L.

PY - 1993

Y1 - 1993

N2 - The novel hexanuclear copper(II) compound [Cu6(tidah)2Cl10(H2O)4]·6H2O was obtained by the reaction of copper(II) chloride with the polyimidazole 1,1,6,6-tetrakis(imidazol-2-yl)-2,5-diazahexane (Htidah). This compound crystallizes in the monoclinic space group P21/c, with a= 7.915(5), b= 16.745(6), c= 20.954(8)Å, β= 95.41(4)°, Z = 2. The structure was solved using direct methods and refined on F by full-matrix least squares. Convergence was reached at R= 0.097 for 991 reflections with l > 2σ(l). Structure analysis shows a complex molecule with six copper ions in three different co-ordination environments. The asymmetric unit, which comprises half a molecule, consists of a trinuclear subunit. In each subunit two copper ions are linked by an imidazolate anion, the Cu Cu distance is 5.7226(8)Å. The two subunits are linked by four asymmetric copper to chloride to copper bridges, with Cu Cu distances of 4.053(9) and 4.696(9)Å. The magnetic super-exchange interaction via the bridging imidazolate ligand seems to be the most important magnetic interaction in this molecule. A fit of the magnetic susceptibility vs. the temperature, in the 6–250 K range, shows a fair agreement for a dinuclear S =½ species, with an energy separation between the spin singlet ground state and the triplet excited state of 90 cm–1.

AB - The novel hexanuclear copper(II) compound [Cu6(tidah)2Cl10(H2O)4]·6H2O was obtained by the reaction of copper(II) chloride with the polyimidazole 1,1,6,6-tetrakis(imidazol-2-yl)-2,5-diazahexane (Htidah). This compound crystallizes in the monoclinic space group P21/c, with a= 7.915(5), b= 16.745(6), c= 20.954(8)Å, β= 95.41(4)°, Z = 2. The structure was solved using direct methods and refined on F by full-matrix least squares. Convergence was reached at R= 0.097 for 991 reflections with l > 2σ(l). Structure analysis shows a complex molecule with six copper ions in three different co-ordination environments. The asymmetric unit, which comprises half a molecule, consists of a trinuclear subunit. In each subunit two copper ions are linked by an imidazolate anion, the Cu Cu distance is 5.7226(8)Å. The two subunits are linked by four asymmetric copper to chloride to copper bridges, with Cu Cu distances of 4.053(9) and 4.696(9)Å. The magnetic super-exchange interaction via the bridging imidazolate ligand seems to be the most important magnetic interaction in this molecule. A fit of the magnetic susceptibility vs. the temperature, in the 6–250 K range, shows a fair agreement for a dinuclear S =½ species, with an energy separation between the spin singlet ground state and the triplet excited state of 90 cm–1.

UR - http://pubs.rsc.org/en/Content/ArticleLanding/1993/DT/DT9930003803#!divAbstract

U2 - 10.1039/DT9930003803

DO - 10.1039/DT9930003803

M3 - Article

SP - 3803

EP - 3807

JO - Dalton Transactions

JF - Dalton Transactions

SN - 1477-9226

IS - 24

ER -