Electronic Structure of a Mixed-Metal Fluoride-Centered Triangle Complex: A Potential Qubit Component

James P S Walsh; Sarah B Meadows; Alberto Ghirri; Fabrizio Moro; Martin Jennings; William F Smith; Darren M Graham; Takumi Kihara; Hiroyuki Nojiri; Iñigo J Vitorica-Yrezabal; Grigore A Timco; David Collison; Eric J L McInnes; Richard E P Winpenny

doi:10.1021/acs.inorgchem.5b01898

Electronic Structure of a Mixed-Metal Fluoride-Centered Triangle Complex: A Potential Qubit Component

Inorg Chem. 2015 Dec 21;54(24):12019-26. doi: 10.1021/acs.inorgchem.5b01898. Epub 2015 Dec 4.

Affiliations

¹ School of Chemistry and Photon Science Institute, The University of Manchester , Oxford Road, Manchester M13 9PL, United Kingdom.
² S3 Centre, Institute Nanoscience (CNR) , via G. Campi 213/A, 41125 Modena, Italy.
³ School of Physics and Astronomy and Photon Science Institute, The University of Manchester , Oxford Road, Manchester M13 9PL, United Kingdom.
⁴ Institute for Materials Research, Tohoku University , Katahira, Sendai 980-8577, Japan.

PMID: 26636473
DOI: 10.1021/acs.inorgchem.5b01898

Abstract

A novel fluoride-centered triangular-bridged carboxylate complex, [Ni2Cr(μ3-F)(O2C(t)Bu)6(HO2C(t)Bu)3] (1), is reported. Simple postsynthetic substitution of the terminal pivalic acids in 1 with pyridine and 4-methylpyridine led to the isolation of [Ni2Cr(μ3-F)(O2C(t)Bu)6(C5H5N)3] (2) and [Ni2Cr(μ3-F)(O2C(t)Bu)6((4-CH3)C5H4N)3] (3). Structural and magnetic characterizations carried out on the series reveal a dominating antiferromagnetic interaction between the nickel and chromium centers leading to an S = (1)/2 ground state with a very unusual value of geff = 2.48.

Publication types

Research Support, Non-U.S. Gov't