TY - JOUR
T1 - Electron Counting in Solids
T2 - Oxidation States, Partial Charges, and Ionicity
AU - Walsh, Aron
AU - Sokol, Alexey A.
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.
UR - http://www.scopus.com/inward/record.url?scp=85018754594&partnerID=8YFLogxK
U2 - 10.1021/acs.jpclett.7b00809
DO - 10.1021/acs.jpclett.7b00809
M3 - Comment/debate
SN - 1948-7185
VL - 8
SP - 2074
EP - 2075
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
IS - 9
ER -