Modification of the magnetic properties of a heterometallic wheel by inclusion of a Jahn-Teller distorted Cu(II) ion

Michael L. Baker; Stergios Piligkos; Alberto  Bianchi; Stefano Carretta; David Collison; Joseph J. W. McDouall; Eric J. L. McInnes; Hannu Mutka; Grigore A. Timco; Floriana Tuna; Prabha Vadivelu; Høgni Weihe; Hans U. Güdel; Richard E. P. Winpenny

Modification of the magnetic properties of a heterometallic wheel by inclusion of a Jahn-Teller distorted Cu(II) ion

Michael L. Baker, Stergios Piligkos, Alberto Bianchi, Stefano Carretta, David Collison, Joseph J. W. McDouall, Eric J. L. McInnes, Hannu Mutka, Grigore A. Timco, Floriana Tuna, Prabha Vadivelu, Høgni Weihe, Hans U. Güdel, Richard E. P. Winpenny

Department of Chemistry

9 Citations (Scopus)

Abstract

An investigation into the physical consequences of including a Jahn-Teller distorted Cu^II ion within an antiferromagnetically coupled ring, [R₂NH₂][Cr₇CuF₈((O₂C ^tBu)₁₆)] is reported. Inelastic neutron scattering (INS) and electron paramagnetic resonance (EPR) spectroscopic data are simulated using a microscopic spin Hamiltonian, and show that the two Cr-Cu exchange interactions must be inequivalent. One Cr-Cu exchange is found to be antiferromagnetic and the other ferromagnetic. The geometry of the Jahn-Teller elongation is deduced from these results, and shows that a Jahn-Teller elongation axis must lie in the plane of the Cr₇Cu wheel; the elongation is not observed by X-ray crystallography, due to positional disorder of the Cu site within the wheel. An electronic structure calculation confirms the structural distortion of the Cu site.

Original language	English
Journal	Dalton Transactions
Volume	40
Pages (from-to)	8533-8539
ISSN	1477-9226
Publication status	Published - 14 Sept 2011

Cite this

@article{e5a79f240dc446099c4a3ca7884d9aa3,

title = "Modification of the magnetic properties of a heterometallic wheel by inclusion of a Jahn-Teller distorted Cu(II) ion",

abstract = "An investigation into the physical consequences of including a Jahn-Teller distorted CuII ion within an antiferromagnetically coupled ring, [R2NH2][Cr7CuF8((O2C tBu)16)] is reported. Inelastic neutron scattering (INS) and electron paramagnetic resonance (EPR) spectroscopic data are simulated using a microscopic spin Hamiltonian, and show that the two Cr-Cu exchange interactions must be inequivalent. One Cr-Cu exchange is found to be antiferromagnetic and the other ferromagnetic. The geometry of the Jahn-Teller elongation is deduced from these results, and shows that a Jahn-Teller elongation axis must lie in the plane of the Cr7Cu wheel; the elongation is not observed by X-ray crystallography, due to positional disorder of the Cu site within the wheel. An electronic structure calculation confirms the structural distortion of the Cu site.",

author = "Baker, {Michael L.} and Stergios Piligkos and Alberto Bianchi and Stefano Carretta and David Collison and McDouall, {Joseph J. W.} and McInnes, {Eric J. L.} and Hannu Mutka and Timco, {Grigore A.} and Floriana Tuna and Prabha Vadivelu and H{\o}gni Weihe and G{\"u}del, {Hans U.} and Winpenny, {Richard E. P.}",

year = "2011",

month = sep,

day = "14",

language = "English",

volume = "40",

pages = "8533--8539",

journal = "Acta chemica Scandinavica. Series A: Physical and inorganic chemistry",

issn = "1477-9226",

publisher = "Royal Society of Chemistry",

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TY - JOUR

T1 - Modification of the magnetic properties of a heterometallic wheel by inclusion of a Jahn-Teller distorted Cu(II) ion

AU - Baker, Michael L.

AU - Piligkos, Stergios

AU - Bianchi, Alberto

AU - Carretta, Stefano

AU - Collison, David

AU - McDouall, Joseph J. W.

AU - McInnes, Eric J. L.

AU - Mutka, Hannu

AU - Timco, Grigore A.

AU - Tuna, Floriana

AU - Vadivelu, Prabha

AU - Weihe, Høgni

AU - Güdel, Hans U.

AU - Winpenny, Richard E. P.

PY - 2011/9/14

Y1 - 2011/9/14

N2 - An investigation into the physical consequences of including a Jahn-Teller distorted CuII ion within an antiferromagnetically coupled ring, [R2NH2][Cr7CuF8((O2C tBu)16)] is reported. Inelastic neutron scattering (INS) and electron paramagnetic resonance (EPR) spectroscopic data are simulated using a microscopic spin Hamiltonian, and show that the two Cr-Cu exchange interactions must be inequivalent. One Cr-Cu exchange is found to be antiferromagnetic and the other ferromagnetic. The geometry of the Jahn-Teller elongation is deduced from these results, and shows that a Jahn-Teller elongation axis must lie in the plane of the Cr7Cu wheel; the elongation is not observed by X-ray crystallography, due to positional disorder of the Cu site within the wheel. An electronic structure calculation confirms the structural distortion of the Cu site.

AB - An investigation into the physical consequences of including a Jahn-Teller distorted CuII ion within an antiferromagnetically coupled ring, [R2NH2][Cr7CuF8((O2C tBu)16)] is reported. Inelastic neutron scattering (INS) and electron paramagnetic resonance (EPR) spectroscopic data are simulated using a microscopic spin Hamiltonian, and show that the two Cr-Cu exchange interactions must be inequivalent. One Cr-Cu exchange is found to be antiferromagnetic and the other ferromagnetic. The geometry of the Jahn-Teller elongation is deduced from these results, and shows that a Jahn-Teller elongation axis must lie in the plane of the Cr7Cu wheel; the elongation is not observed by X-ray crystallography, due to positional disorder of the Cu site within the wheel. An electronic structure calculation confirms the structural distortion of the Cu site.

M3 - Journal article

SN - 1477-9226

VL - 40

SP - 8533

EP - 8539

JO - Acta chemica Scandinavica. Series A: Physical and inorganic chemistry

JF - Acta chemica Scandinavica. Series A: Physical and inorganic chemistry

ER -

Modification of the magnetic properties of a heterometallic wheel by inclusion of a Jahn-Teller distorted Cu(II) ion

Abstract

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