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

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

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

Abstract

A novel fluoride-centered triangular-bridged carboxylate complex, [Ni₂Cr(μ₃-F)(O₂C^tBu)₆(HO₂C^tBu)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^tBu)₆(C₅H₅N)₃] (2) and [Ni₂Cr(μ₃-F)(O₂C^tBu)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.

Original language	English
Pages (from-to)	12019-12026
Number of pages	8
Journal	Inorganic chemistry
Volume	54
Issue number	24
DOIs	https://doi.org/10.1021/acs.inorgchem.5b01898
Publication status	Published - 2015 Dec 4

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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Walsh, J. P. S., Meadows, S. B., Ghirri, A., Moro, F., Jennings, M., Smith, W. F., Graham, D. M., Kihara, T., Nojiri, H., Vitorica-Yrezabal, I. J., Timco, G. A., Collison, D., McInnes, E. J. L., & Winpenny, R. E. P. (2015). Electronic Structure of a Mixed-Metal Fluoride-Centered Triangle Complex: A Potential Qubit Component. Inorganic chemistry, 54(24), 12019-12026. https://doi.org/10.1021/acs.inorgchem.5b01898

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 2015, 'Electronic Structure of a Mixed-Metal Fluoride-Centered Triangle Complex: A Potential Qubit Component', Inorganic chemistry, vol. 54, no. 24, pp. 12019-12026. https://doi.org/10.1021/acs.inorgchem.5b01898

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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)(O2CtBu)6(HO2CtBu)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)(O2CtBu)6(C5H5N)3] (2) and [Ni2Cr(μ3-F)(O2CtBu)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.",

author = "Walsh, {James P.S.} and Meadows, {Sarah B.} and Alberto Ghirri and Fabrizio Moro and Martin Jennings and Smith, {William F.} and Graham, {Darren M.} and Takumi Kihara and Hiroyuki Nojiri and Vitorica-Yrezabal, {I{\~n}igo J.} and Timco, {Grigore A.} and David Collison and McInnes, {Eric J.L.} and Winpenny, {Richard E.P.}",

note = "Publisher Copyright: {\textcopyright} 2015 American Chemical Society.",

year = "2015",

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doi = "10.1021/acs.inorgchem.5b01898",

language = "English",

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T2 - A Potential Qubit Component

AU - Walsh, James P.S.

AU - Meadows, Sarah B.

AU - Ghirri, Alberto

AU - Moro, Fabrizio

AU - Jennings, Martin

AU - Smith, William F.

AU - Graham, Darren M.

AU - Kihara, Takumi

AU - Nojiri, Hiroyuki

AU - Vitorica-Yrezabal, Iñigo J.

AU - Timco, Grigore A.

AU - Collison, David

AU - McInnes, Eric J.L.

AU - Winpenny, Richard E.P.

PY - 2015/12/4

Y1 - 2015/12/4

N2 - A novel fluoride-centered triangular-bridged carboxylate complex, [Ni2Cr(μ3-F)(O2CtBu)6(HO2CtBu)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)(O2CtBu)6(C5H5N)3] (2) and [Ni2Cr(μ3-F)(O2CtBu)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.

AB - A novel fluoride-centered triangular-bridged carboxylate complex, [Ni2Cr(μ3-F)(O2CtBu)6(HO2CtBu)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)(O2CtBu)6(C5H5N)3] (2) and [Ni2Cr(μ3-F)(O2CtBu)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.

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JO - Inorganic Chemistry

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IS - 24

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

Abstract

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