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The Chemical Bond in Carbonyl and Sulfinyl Groups Studied by Soft X‐ray Spectroscopy and ab Initio Calculations
Author(s) -
Atak Kaan,
Engel Nicholas,
Lange Kathrin M.,
Golnak Ronny,
Gotz Malte,
Soldatov Mikhail,
Rubensson JanErik,
Kosugi Nobuhiro,
Aziz Emad F.
Publication year - 2012
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201200314
Subject(s) - chemistry , electrophile , nucleophile , atomic orbital , molecular orbital , computational chemistry , ab initio , phosphazene , sulfoxide , solvent effects , solvent , photochemistry , molecule , organic chemistry , physics , quantum mechanics , polymer , catalysis , electron
The polar character of the sulfinyl bond, which determines many of the properties of dimethyl sulfoxide (DMSO), is a result of charge transfer in low‐lying π‐type orbitals. This characteristic—together with the wide energy gap between the highest occupied and the lowest unoccupied molecular orbitals of this substance—makes DMSO a relatively inert aprotic solvent with strong nucleophilicity and electrophilicity.