Document Type
Article
Publication Date
7-3-2018
Publication Title
Inorganic Chemistry
Volume
57
Issue
14
Pages
8307-8316
Publisher Name
American Chemical Society
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.
Recommended Citation
Ghannam, Jack; Assil, Talal Al; Pankratz, Trey C.; Lord, Richard L.; Zeller, Matthias; and Lee, Wei-Tsung. A Series of 4- and 5-Coordinate Ni(II) Complexes: Synthesis, Characterization, Spectroscopic, and DFT Studies. Inorganic Chemistry, 57, 14: 8307-8316, 2018. Retrieved from Loyola eCommons, Chemistry: Faculty Publications and Other Works, http://dx.doi.org/10.1021/acs.inorgchem.8b00958
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This work is licensed under a Creative Commons Attribution-Noncommercial-No Derivative Works 3.0 License.
Copyright Statement
© American Chemical Society 2018
Comments
Author Posting. © American Chemical Society 2018. This is the author's version of the work. This article is posted here by permission of the ACS for personal use, not for redistribution. The article was published in Inorganic Chemistry, 2018, https://doi.org/10.1021/acs.inorgchem.8b00958.