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Charge Localization in Monothiophosphate Monoanions

Rostkowski M., Paneth P.

Polish Journal of Chemistry

2007

Vol. 81, nr 5-6

711-720

We have examined charge distribution between exocyclic oxygen and sulfur atoms in 5,5-dimethyl-1,3,2-dioxaphosphorinan-2-oxy-2-thio monoanion. Our results indicate that while solvent polarity and substituents have minor effect, the presence of a counter- ion results in relative increase of the partial atomic charge on the oxygen atom. Thus it seems that change in the reactivity of this anion observed experimentally can be ascribed to ion pairing in low polarity solvent.