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- W2018643063 abstract "We investigated the optical properties of (NBu(4))(3)[Ni(NCS)(5)], a pentacoordinate Ni compound, and compared the results with the more traditional hexacoordinate analogue (NEt(4))(4)[Ni(NCS)(6)]. On the basis of our complementary electronic structure calculations, the color properties of this high spin complex can be understood in terms of excitations between strongly hybridized orbitals with significant Ni d and ligand character. Variable temperature vibrational studies show mode softening with decreasing temperature and splitting near 200 K, trends that we attribute to improved low temperature intermolecular interactions and a weak structural phase transition, respectively." @default.
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- W2018643063 date "2009-07-10" @default.
- W2018643063 modified "2023-10-14" @default.
- W2018643063 title "Color Properties and Structural Phase Transition in Penta- And Hexacoordinate Isothiocyanato Ni(II) Compounds" @default.
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- W2018643063 doi "https://doi.org/10.1021/ic802120n" @default.
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