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