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

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Figshare2016-02-12 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Electronic_Structure_of_a_Mixed_Metal_Fluoride_Centered_Triangle_Complex_A_Potential_Qubit_Component/2096719
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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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2016-02-12
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