The chemical bond in carbonyl and sulfinyl groups studied by soft X-ray spectroscopy and ab initio calculations

Kaan Atak, Nicholas Engel, Kathrin M. Lange, Ronny Golnak, Malte Gotz, Mikhail A. Soldatov, Jan Erik Rubensson, Nobuhiro Kosugi, Emad F. Aziz

Research output: Contribution to journalArticleResearchpeer-review

10 Citations (Scopus)

Abstract

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 characteristica-together with the wide energy gap between the highest occupied and the lowest unoccupied molecular orbitals of this substancea-makes DMSO a relatively inert aprotic solvent with strong nucleophilicity and electrophilicity.

Original languageEnglish
Pages (from-to)3106-3111
Number of pages6
JournalChemPhysChem
Volume13
Issue number13
DOIs
Publication statusPublished - 17 Sep 2012
Externally publishedYes

Keywords

  • ab initio calculations
  • acetone
  • chemical bond
  • dimethyl sulfoxide
  • X-ray spectroscopy

Cite this