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

Baker, Michael L.; Piligkos, Stergios; Bianchi, Alberto; Carretta, Stefano; Collison, David; McDouall, Joseph J. W.; McInnes, Eric J. L.; Mutka, Hannu; Timco, Grigore A.; Tuna, Floriana; Vadivelu, Prabha; Weihe, Hogni; Guedel, Hans U.; Winpenny, Richard E. P. (2011). Modification of the magnetic properties of a heterometallic wheel by inclusion of a Jahn-Teller distorted Cu(II) ion. Dalton transactions, 40(34), pp. 8533-8539. Cambridge: Royal Society of Chemistry 10.1039/c1dt10547g

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An investigation into the physical consequences of including a Jahn-Teller distorted Cu(II) ion within an antiferromagnetically coupled ring, [R(2)NH(2)][Cr(7)CuF(8)((O(2)C(t)Bu)(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 Cr(7)Cu 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.

Item Type:

Journal Article (Original Article)

Division/Institute:

08 Faculty of Science > Departement of Chemistry and Biochemistry

UniBE Contributor:

Güdel, Hans-Ulrich

ISSN:

1477-9226

Publisher:

Royal Society of Chemistry

Language:

English

Submitter:

Factscience Import

Date Deposited:

04 Oct 2013 14:26

Last Modified:

17 Mar 2015 21:09

Publisher DOI:

10.1039/c1dt10547g

Web of Science ID:

000293895800010

URI:

https://boris.unibe.ch/id/eprint/9523 (FactScience: 215272)

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