Published in
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 
,
Liviu M. Mirica ,
Noel Nebra,
David A. Vicic ,
Lydia L. Yorks ,
Sam Yruegas ,
Samantha N. MacMillan
and other authors.
,
Liviu M. Mirica ,
Noel Nebra,
David A. Vicic ,
Lydia L. Yorks ,
Sam Yruegas ,
Samantha N. MacMillan
and other authors.
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.