Article
A Series of 4- and 5-Coordinate Ni(II) Complexes: Synthesis, Characterization, Spectroscopic, and DFT Studies
Inorganic Chemistry
(2018)
Abstract
A series of four- and five-coordinate Ni(II) complexes CztBu(PyriPr)2NiX (1–3 and 1·THF–3·THF), where X = Cl, Br, and I, were synthesized and fully characterized by NMR and UV–vis spectroscopy, X-ray crystallography, cyclic voltammetry, and density functional theory calculations. The solid-state structures of 1–3 reveal rare examples of seesaw Ni(II) complexes. In solution, 1–3 bind reversibly to a THF molecule to form five-coordinate adducts. The electronic transitions in the visible region (630–680 nm), attributed to LMCT bands, for 1 → 3 exhibit a bathochromic shift. The thermochromic tendency of the five-coordinate complexes implies the loss of THF coordination at elevated temperatures. Finally, the electronic properties of all Ni(II) complexes were studied by time-dependent density functional theory calculations to characterize the nature of the excited states.
Disciplines
Publication Date
July 3, 2018
DOI
10.1021/acs.inorgchem.8b00958
Citation Information
Jack Ghannam, Talal Al Assil, Trey C. Pankratz, Richard L. Lord, et al.. "A Series of 4- and 5-Coordinate Ni(II) Complexes: Synthesis, Characterization, Spectroscopic, and DFT Studies" Inorganic Chemistry Vol. 57 Iss. 14 (2018) p. 8307 - 8316 Available at: http://works.bepress.com/wei-tsung-less/2/