Charge Localization in Monothiophosphate Monoanions

• Autorzy: Rostkowski M. , Paneth P.
• Języki publikacji: EN

Abstrakty

EN

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.

Słowa kluczowe

EN

monothiophosphates; partial atomic charges; DFT

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2007
• Tom: Vol. 81, nr 5-6
• Strony: 711--720
• Opis fizyczny: Bibliogr. 35 poz., rys.

Twórcy

autor

Rostkowski M.

autor

Paneth P.

• Institute of Applied Radiation Chemistry, Technical University of Łódź, Żeromskiego 116, 90-924 Łódź, Poland,

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