Synthesis, crystal structure and magnetic properties of bis[μ-bis(3-pyridin-2- yl)-1,2,4-triazole-N',N1,N2] bis[triaqua nickel(II)] tetranitrate

Petra J. Van Koningsbruggen, Matthias W. Gluth, Vadim Ksenofontov, Dorothee Walcher, Dieter Schollmeyer, Georg Levchenko, Philipp Gütlich

Research output: Contribution to journalArticle

Abstract

A new dinuclear nickel(II) coordination compound of formula Ni2(Hpt)2(H2O)6(NO3)4 (Hpt=3-(pyridin-2-yl)-1,2,4-triazole) was synthesized. The structure was solved at 298 K by single-crystal X-ray analysis. Bisμ-bis(3-(pyridin-2-yl)-1,2,4-triazole-N′,N1,N2) bistriaqua nickel(II) tetranitrate (C14H24 N12O18Ni2) crystallizes in the triclinic space group P-1, a=7.2266(1), b=9.9144(1), c=11.2647(1) Å, α=66.854(1)°, β=74.000(1)°, γ=86.400(2)°, V=712.42(1) Å3, Z=1 (dinuclear units), 2823 reflections (1 > 2σ(I)), R1=0.0442, wR2=0.1197. The Ni(II) ions are bridged by two neutral Hpt ligands coordinating via N1 and N2 in the equatorial plane, Ni(1)-Ni(1)′=4.098(1) Å. The Hpt bridging mode is asymmetric (Ni(1)-N(1)′=2.074(2) Å, Ni(1)-N(2)=2.052(2) Å, N(1)-N(2)-Ni(1)=138.8(1)°, N(2)-N(1)-Ni(1)′=124.3(1)°). The octahedral environment around nickel(II) is completed by the coordinating pyridyl group (Ni(1)-N(31)=2.123(2) Å) and three coordinating water molecules (Ni(1)-O(1)=2.083(2) Å, Ni(1)-O(2)=2.053(2) Å, Ni(1)-O(3)=2.049(2) Å). The Ni(II) pairs are antiferromagnetically coupled, with J = −4.65 cm−1 (based on the spin Hamiltonian: H = −2JSNi1 · SNi2). The J value was rationalized on the basis of the geometry around Ni(II). The superexchange pathway involves the σ orbitals of the N1,N2-diazine moiety of the bridging 1,2,4-triazole network. The nature and the magnitude of the antiferromagnetic exchange is discussed on the basis of the structural features.
Original languageEnglish
Pages (from-to)54-61
Number of pages8
JournalInorganica Chimica Acta
Volume273
Issue number1-2
DOIs
Publication statusPublished - 15 May 1998

Fingerprint

Nickel
Magnetic properties
Crystal structure
nickel
magnetic properties
crystal structure
synthesis
Hamiltonians
X ray analysis
Ligands
Single crystals
Ions
orbitals
ligands
Molecules
Geometry
Water
single crystals
geometry
water

Keywords

  • crystal structures
  • magnetic properties
  • nickel complexes
  • triazole-bridged complexes
  • dinuclear complexes

Cite this

Van Koningsbruggen, Petra J. ; Gluth, Matthias W. ; Ksenofontov, Vadim ; Walcher, Dorothee ; Schollmeyer, Dieter ; Levchenko, Georg ; Gütlich, Philipp. / Synthesis, crystal structure and magnetic properties of bis[μ-bis(3-pyridin-2- yl)-1,2,4-triazole-N',N1,N2] bis[triaqua nickel(II)] tetranitrate. In: Inorganica Chimica Acta. 1998 ; Vol. 273, No. 1-2. pp. 54-61.
@article{0d0d525a199545a0a2004799b41594ae,
title = "Synthesis, crystal structure and magnetic properties of bis[μ-bis(3-pyridin-2- yl)-1,2,4-triazole-N',N1,N2] bis[triaqua nickel(II)] tetranitrate",
abstract = "A new dinuclear nickel(II) coordination compound of formula Ni2(Hpt)2(H2O)6(NO3)4 (Hpt=3-(pyridin-2-yl)-1,2,4-triazole) was synthesized. The structure was solved at 298 K by single-crystal X-ray analysis. Bisμ-bis(3-(pyridin-2-yl)-1,2,4-triazole-N′,N1,N2) bistriaqua nickel(II) tetranitrate (C14H24 N12O18Ni2) crystallizes in the triclinic space group P-1, a=7.2266(1), b=9.9144(1), c=11.2647(1) {\AA}, α=66.854(1)°, β=74.000(1)°, γ=86.400(2)°, V=712.42(1) {\AA}3, Z=1 (dinuclear units), 2823 reflections (1 > 2σ(I)), R1=0.0442, wR2=0.1197. The Ni(II) ions are bridged by two neutral Hpt ligands coordinating via N1 and N2 in the equatorial plane, Ni(1)-Ni(1)′=4.098(1) {\AA}. The Hpt bridging mode is asymmetric (Ni(1)-N(1)′=2.074(2) {\AA}, Ni(1)-N(2)=2.052(2) {\AA}, N(1)-N(2)-Ni(1)=138.8(1)°, N(2)-N(1)-Ni(1)′=124.3(1)°). The octahedral environment around nickel(II) is completed by the coordinating pyridyl group (Ni(1)-N(31)=2.123(2) {\AA}) and three coordinating water molecules (Ni(1)-O(1)=2.083(2) {\AA}, Ni(1)-O(2)=2.053(2) {\AA}, Ni(1)-O(3)=2.049(2) {\AA}). The Ni(II) pairs are antiferromagnetically coupled, with J = −4.65 cm−1 (based on the spin Hamiltonian: H = −2JSNi1 · SNi2). The J value was rationalized on the basis of the geometry around Ni(II). The superexchange pathway involves the σ orbitals of the N1,N2-diazine moiety of the bridging 1,2,4-triazole network. The nature and the magnitude of the antiferromagnetic exchange is discussed on the basis of the structural features.",
keywords = "crystal structures, magnetic properties, nickel complexes, triazole-bridged complexes, dinuclear complexes",
author = "{Van Koningsbruggen}, {Petra J.} and Gluth, {Matthias W.} and Vadim Ksenofontov and Dorothee Walcher and Dieter Schollmeyer and Georg Levchenko and Philipp G{\"u}tlich",
year = "1998",
month = "5",
day = "15",
doi = "10.1016/S0020-1693(97)05914-8",
language = "English",
volume = "273",
pages = "54--61",
journal = "Inorganica Chimica Acta",
issn = "0020-1693",
publisher = "Elsevier",
number = "1-2",

}

Synthesis, crystal structure and magnetic properties of bis[μ-bis(3-pyridin-2- yl)-1,2,4-triazole-N',N1,N2] bis[triaqua nickel(II)] tetranitrate. / Van Koningsbruggen, Petra J.; Gluth, Matthias W.; Ksenofontov, Vadim; Walcher, Dorothee; Schollmeyer, Dieter; Levchenko, Georg; Gütlich, Philipp.

In: Inorganica Chimica Acta, Vol. 273, No. 1-2, 15.05.1998, p. 54-61.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Synthesis, crystal structure and magnetic properties of bis[μ-bis(3-pyridin-2- yl)-1,2,4-triazole-N',N1,N2] bis[triaqua nickel(II)] tetranitrate

AU - Van Koningsbruggen, Petra J.

AU - Gluth, Matthias W.

AU - Ksenofontov, Vadim

AU - Walcher, Dorothee

AU - Schollmeyer, Dieter

AU - Levchenko, Georg

AU - Gütlich, Philipp

PY - 1998/5/15

Y1 - 1998/5/15

N2 - A new dinuclear nickel(II) coordination compound of formula Ni2(Hpt)2(H2O)6(NO3)4 (Hpt=3-(pyridin-2-yl)-1,2,4-triazole) was synthesized. The structure was solved at 298 K by single-crystal X-ray analysis. Bisμ-bis(3-(pyridin-2-yl)-1,2,4-triazole-N′,N1,N2) bistriaqua nickel(II) tetranitrate (C14H24 N12O18Ni2) crystallizes in the triclinic space group P-1, a=7.2266(1), b=9.9144(1), c=11.2647(1) Å, α=66.854(1)°, β=74.000(1)°, γ=86.400(2)°, V=712.42(1) Å3, Z=1 (dinuclear units), 2823 reflections (1 > 2σ(I)), R1=0.0442, wR2=0.1197. The Ni(II) ions are bridged by two neutral Hpt ligands coordinating via N1 and N2 in the equatorial plane, Ni(1)-Ni(1)′=4.098(1) Å. The Hpt bridging mode is asymmetric (Ni(1)-N(1)′=2.074(2) Å, Ni(1)-N(2)=2.052(2) Å, N(1)-N(2)-Ni(1)=138.8(1)°, N(2)-N(1)-Ni(1)′=124.3(1)°). The octahedral environment around nickel(II) is completed by the coordinating pyridyl group (Ni(1)-N(31)=2.123(2) Å) and three coordinating water molecules (Ni(1)-O(1)=2.083(2) Å, Ni(1)-O(2)=2.053(2) Å, Ni(1)-O(3)=2.049(2) Å). The Ni(II) pairs are antiferromagnetically coupled, with J = −4.65 cm−1 (based on the spin Hamiltonian: H = −2JSNi1 · SNi2). The J value was rationalized on the basis of the geometry around Ni(II). The superexchange pathway involves the σ orbitals of the N1,N2-diazine moiety of the bridging 1,2,4-triazole network. The nature and the magnitude of the antiferromagnetic exchange is discussed on the basis of the structural features.

AB - A new dinuclear nickel(II) coordination compound of formula Ni2(Hpt)2(H2O)6(NO3)4 (Hpt=3-(pyridin-2-yl)-1,2,4-triazole) was synthesized. The structure was solved at 298 K by single-crystal X-ray analysis. Bisμ-bis(3-(pyridin-2-yl)-1,2,4-triazole-N′,N1,N2) bistriaqua nickel(II) tetranitrate (C14H24 N12O18Ni2) crystallizes in the triclinic space group P-1, a=7.2266(1), b=9.9144(1), c=11.2647(1) Å, α=66.854(1)°, β=74.000(1)°, γ=86.400(2)°, V=712.42(1) Å3, Z=1 (dinuclear units), 2823 reflections (1 > 2σ(I)), R1=0.0442, wR2=0.1197. The Ni(II) ions are bridged by two neutral Hpt ligands coordinating via N1 and N2 in the equatorial plane, Ni(1)-Ni(1)′=4.098(1) Å. The Hpt bridging mode is asymmetric (Ni(1)-N(1)′=2.074(2) Å, Ni(1)-N(2)=2.052(2) Å, N(1)-N(2)-Ni(1)=138.8(1)°, N(2)-N(1)-Ni(1)′=124.3(1)°). The octahedral environment around nickel(II) is completed by the coordinating pyridyl group (Ni(1)-N(31)=2.123(2) Å) and three coordinating water molecules (Ni(1)-O(1)=2.083(2) Å, Ni(1)-O(2)=2.053(2) Å, Ni(1)-O(3)=2.049(2) Å). The Ni(II) pairs are antiferromagnetically coupled, with J = −4.65 cm−1 (based on the spin Hamiltonian: H = −2JSNi1 · SNi2). The J value was rationalized on the basis of the geometry around Ni(II). The superexchange pathway involves the σ orbitals of the N1,N2-diazine moiety of the bridging 1,2,4-triazole network. The nature and the magnitude of the antiferromagnetic exchange is discussed on the basis of the structural features.

KW - crystal structures

KW - magnetic properties

KW - nickel complexes

KW - triazole-bridged complexes

KW - dinuclear complexes

UR - http://www.sciencedirect.com/science/article/pii/S0020169397059148

U2 - 10.1016/S0020-1693(97)05914-8

DO - 10.1016/S0020-1693(97)05914-8

M3 - Article

VL - 273

SP - 54

EP - 61

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

SN - 0020-1693

IS - 1-2

ER -