title: Electronic Structure of a Mixed-Metal Fluoride-Centered Triangle Complex: A Potential Qubit Component.
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.
authors.affiliation: School of Chemistry and Photon Science Institute, The University of Manchester , Oxford Road, Manchester M13 9PL, United Kingdom.
authors.forename: James P S
authors.initials: JP
authors.lastname: Walsh
authors.affiliation: School of Chemistry and Photon Science Institute, The University of Manchester , Oxford Road, Manchester M13 9PL, United Kingdom.
authors.forename: Sarah B
authors.initials: SB
authors.lastname: Meadows
authors.affiliation: S3 Centre, Institute Nanoscience (CNR) , via G. Campi 213/A, 41125 Modena, Italy.
authors.forename: Alberto
authors.initials: A
authors.lastname: Ghirri
authors.affiliation: School of Chemistry and Photon Science Institute, The University of Manchester , Oxford Road, Manchester M13 9PL, United Kingdom.
authors.forename: Fabrizio
authors.initials: F
authors.lastname: Moro
authors.affiliation: School of Chemistry and Photon Science Institute, The University of Manchester , Oxford Road, Manchester M13 9PL, United Kingdom.
authors.forename: Martin
authors.initials: M
authors.lastname: Jennings
authors.affiliation: School of Physics and Astronomy and Photon Science Institute, The University of Manchester , Oxford Road, Manchester M13 9PL, United Kingdom.
authors.forename: William F
authors.initials: WF
authors.lastname: Smith
authors.affiliation: School of Physics and Astronomy and Photon Science Institute, The University of Manchester , Oxford Road, Manchester M13 9PL, United Kingdom.
authors.forename: Darren M
authors.initials: DM
authors.lastname: Graham
authors.affiliation: Institute for Materials Research, Tohoku University , Katahira, Sendai 980-8577, Japan.
authors.forename: Takumi
authors.initials: T
authors.lastname: Kihara
authors.affiliation: Institute for Materials Research, Tohoku University , Katahira, Sendai 980-8577, Japan.
authors.forename: Hiroyuki
authors.initials: H
authors.lastname: Nojiri
authors.affiliation: School of Chemistry and Photon Science Institute, The University of Manchester , Oxford Road, Manchester M13 9PL, United Kingdom.
authors.forename: Iñigo J
authors.initials: IJ
authors.lastname: Vitorica-Yrezabal
authors.affiliation: School of Chemistry and Photon Science Institute, The University of Manchester , Oxford Road, Manchester M13 9PL, United Kingdom.
authors.forename: Grigore A
authors.initials: GA
authors.lastname: Timco
authors.affiliation: School of Chemistry and Photon Science Institute, The University of Manchester , Oxford Road, Manchester M13 9PL, United Kingdom.
authors.forename: David
authors.initials: D
authors.lastname: Collison
authors.affiliation: School of Chemistry and Photon Science Institute, The University of Manchester , Oxford Road, Manchester M13 9PL, United Kingdom.
authors.forename: Eric J L
authors.initials: EJ
authors.lastname: McInnes
authors.affiliation: School of Chemistry and Photon Science Institute, The University of Manchester , Oxford Road, Manchester M13 9PL, United Kingdom.
authors.forename: Richard E P
authors.initials: RE
authors.lastname: Winpenny