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Royal Society of Chemistry, Chemical Science, 25(14), p. 6915-6929, 2023

DOI: 10.1039/d3sc02001k

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Scrutinizing formally Ni<sup>IV</sup>centers through the lenses of core spectroscopy, molecular orbital theory, and valence bond theory

Journal article published in 2023 by Ida M. DiMucci, Charles J. Titus, Dennis Nordlund, James R. Bour, Eugene Chong, Dylan P. Grigas, Chi-Herng Hu, Mikhail D. Kosobokov, Caleb D. Martin ORCID, Liviu M. Mirica ORCID, Noel Nebra, David A. Vicic ORCID, Lydia L. Yorks ORCID, Sam Yruegas ORCID, Samantha N. MacMillan ORCID and other authors.
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Nickel K- and L2,3-edge X-ray absorption spectra (XAS) are discussed for coordinated nickel centers spanning formal oxidation states from II to IV. The ensuing analysis indicates that a physical “+4” oxidation state is untenable for coordinated Ni.