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Updated: Jun 21, 2026
The Synthesis, Characterization and Reactivity of a Series of Ruthenium N-triphosPh Complexes
Published on: April 10, 2015
Color properties and structural phase transition in penta- and hexacoordinate isothiocyanato Ni(II) compounds
T V Brinzari1, C Tian, G J Halder
1Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996, USA.
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.
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