Publication Type Journal Article
Title On the Upper Limits of Oxidation States in Chemistry
Authors Shu-Xian Hu Wan-Lu Li Jun-Bo Lu Junwei Lucas Bao Haoyu S. Yu Donald G. Truhlar John K. Gibson Joaquim Marçalo Mingfei Zhou Sebastian Riedel W. H. Eugen Schwarz Jun Li
Groups IOARC
Journal ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Year 2018
Month March
Volume 57
Number 12
Pages 3242-3245
Abstract The concept of oxidation state (OS) is based on the concept of Lewis electron pairs, in which the bonding electrons are assigned to the more electronegative element. This approach is useful for keeping track of the electrons, predicting chemical trends, and guiding syntheses. Experimental and quantum-chemical results reveal a limit near +8 for the highest OS in stable neutral chemical substances under ambient conditions. OS=+9 was observed for the isolated [IrO4](+) cation in vacuum. The prediction of OS=+10 for isolated [PtO4](2+) cations is confirmed computationally for low temperatures only, but hasn t yet been experimentally verified. For high OS species, oxidation of the ligands, for example, of O-2 with formation of O-1 and O-O bonds, and partial reduction of the metal center may be favorable, possibly leading to non-Lewis type structures.
DOI http://dx.doi.org/10.1002/ange.201711450
ISBN
Publisher
Book Title
ISSN 1433-7851
EISSN 1521-3773
Conference Name
Bibtex ID ISI:000426759900043
Observations
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