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• W2168658112 endingPage "20215" @default.
• W2168658112 startingPage "20207" @default.
• W2168658112 abstract "High-spin square-planar molecular compounds are rare. In an effort to access this unique combination of geometry and spin state, we report the synthesis of a series of M(II) compounds stabilized by a trianionic pincer-type ligand, highlighting the formation of a high-spin square-planar Co(II) complex. Low-temperature, variable-frequency EPR measurements reveal that the ground electronic state of the Co(II) analogue is a highly anisotropic Kramers doublet (effective g values 7.35, 2.51, 1.48). This doublet can be identified with the lowest doublet of a quartet, S = 3/2 spin state that exhibits a very large ZFS, D ≥ 50 cm(-1). The observation of an effective g value considerably greater than the largest spin-only value 6, demonstrates that the orbital angular moment is essentially unquenched along one spatial direction. Density Functional Theory (DFT) and time-dependent DFT calculations reveal the electronic configurations of the ground and excited orbital states. A qualitative crystal field description of the geff tensor shows that it originates from the spin-orbit coupling acting on states obtained through the transfer of a β electron from the doubly occupied xy to the singly-occupied {xz/yz} orbitals." @default.
• W2168658112 created "2016-06-24" @default.
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• W2168658112 date "2015-01-01" @default.
• W2168658112 modified "2023-10-16" @default.
• W2168658112 title "Synthesis and characterization of a family of M²⁺ complexes supported by a trianionic ONO³⁻ pincer-type ligand: towards the stabilization of high-spin square-planar complexes" @default.
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• W2168658112 doi "https://doi.org/10.1039/c5dt03960f" @default.
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• W2168658112 hasPublicationYear "2015" @default.
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