Electron Counting in Solids: Oxidation States, Partial Charges, and Ionicity

Aron Walsh; Alexey A. Sokol; John Buckeridge; David O. Scanlon; C. Richard A. Catlow

doi:10.1021/acs.jpclett.7b00809

Electron Counting in Solids: Oxidation States, Partial Charges, and Ionicity

Aron Walsh
, Alexey A. Sokol
, John Buckeridge
, David O. Scanlon
, C. Richard A. Catlow

Imperial College London
University College London
Christopher Ingold Laboratories
Diamond Light Source

Research output: Contribution to journal › Comment/debate

84 Citations (Scopus)

Abstract

The oxidation state of an element is a practically useful concept in chemistry. IUPAC defines it as “the charge an atom might be imagined to have when electrons are counted according to an agreed-upon set of rules”.(1) Once the composition of a compound is known, a trained chemist will immediately infer the oxidation states of its components, and in turn anticipate the structural, electronic, optical and magnetic properties of the material. This is a powerful heuristic tool.

Original language	English
Pages (from-to)	2074-2075
Number of pages	2
Journal	Journal of Physical Chemistry Letters
Volume	8
Issue number	9
DOIs	https://doi.org/10.1021/acs.jpclett.7b00809 https://doi.org/10.1021/acs.jpclett.7b00809
Publication status	Published - 4 May 2017
Externally published	Yes

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AU - Buckeridge, John

AU - Scanlon, David O.

AU - Catlow, C. Richard A.

PY - 2017/5/4

Y1 - 2017/5/4

N2 - The oxidation state of an element is a practically useful concept in chemistry. IUPAC defines it as “the charge an atom might be imagined to have when electrons are counted according to an agreed-upon set of rules”.(1) Once the composition of a compound is known, a trained chemist will immediately infer the oxidation states of its components, and in turn anticipate the structural, electronic, optical and magnetic properties of the material. This is a powerful heuristic tool.

AB - The oxidation state of an element is a practically useful concept in chemistry. IUPAC defines it as “the charge an atom might be imagined to have when electrons are counted according to an agreed-upon set of rules”.(1) Once the composition of a compound is known, a trained chemist will immediately infer the oxidation states of its components, and in turn anticipate the structural, electronic, optical and magnetic properties of the material. This is a powerful heuristic tool.

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DO - 10.1021/acs.jpclett.7b00809

M3 - Comment/debate

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ER -

Electron Counting in Solids: Oxidation States, Partial Charges, and Ionicity

Abstract

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