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

Walsh JPS; Meadows SB; Ghirri A; Moro F; Jennings M; Smith WF; Graham DM; Kihara T; Nojiri H; Vitorica-Yrezabal IJ; Timco GA; Collison D; McInnes EJL; Winpenny REP

Inorganic Chemistry, Vol.54, No.24, 12019-12026, 2015

DOI10.1021/acs.inorgchem.5b01898 Export Citation

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

Walsh JPS, Meadows SB, Ghirri A, Moro F, Jennings M, Smith WF, Graham DM, Kihara T, Nojiri H, Vitorica-Yrezabal IJ, Timco GA, Collison D, McInnes EJL, Winpenny REP

A novel fluoride-centered triangular-bridged carboxylate complex, [Ni2Cr(mu(3)-F)((O2CBu)-Bu-t)(6)((HO2CBu)-Bu-t)(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(mu(3)-F)(O(2)CtBu)(6)(C5H5N)(3)] (2) and [Ni2Cr(mu(3)-F)((O2CBu)-Bu-t)(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 g(eff) = 2.48.