Experimental (ESCA) and theoretical (SCF-MO) determination of the oxidation state of sulphur in bis(2-carboxyphenyl) sulphur dihydroxide dilactone

Giannoula Theodorakopoulos, Imre G. Csizmadia, Michael A. Robb, Árpád Kucsman, István Kapovits

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

Inner shell ionization potentials have been evaluated for some diphenyl substituted ("model" unsubstituted) sulphides, sulphoxides, sulphones and sulphuranes by means of X-ray photoelectron spectroscopy (non-empirical m.o. calculation). A good linear correlation is obtained between formal S oxidation state and S 2p ionization potentials for both the experimental and theoretical results, leading to an assignment of an S oxidation state of 4 in bis-(2-carboxyphenyl) sulphur dihydroxide dilactone.

Original languageEnglish
Pages (from-to)293-297
Number of pages5
JournalJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
Volume73
Issue number2
DOIs
Publication statusPublished - 1977

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Ionization potential
Sulfur
ionization potentials
self consistent fields
sulfur
Oxidation
Sulfones
oxidation
sulfones
Sulfides
sulfides
X ray photoelectron spectroscopy
photoelectron spectroscopy
x rays
diphenyl

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Physical and Theoretical Chemistry

Cite this

Experimental (ESCA) and theoretical (SCF-MO) determination of the oxidation state of sulphur in bis(2-carboxyphenyl) sulphur dihydroxide dilactone. / Theodorakopoulos, Giannoula; Csizmadia, Imre G.; Robb, Michael A.; Kucsman, Árpád; Kapovits, István.

In: Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, Vol. 73, No. 2, 1977, p. 293-297.

Research output: Contribution to journalArticle

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AU - Robb, Michael A.

AU - Kucsman, Árpád

AU - Kapovits, István

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