St ructure, tautomerism and intramolecu lar hydro gen bonding of ȕ-ketosulfo xide compounds

Many st udies have been done on molecular structure of ȕ-diketone(BDK) conf ormations an d the strength of their intramolecu lar hydrogen bonding (IHB)by theoretical and experimental methods.ȕ-keto sulfoxides (Į-sulfinyl ketones), h ereafter B KS, also have keto-enoltauto merization and exhibit the IHB in their enol forms. The only difference betwe en BDK an dBKS compoundswith s imilar functional groups refers to t he sulfur ato m.Due to t he special characterizat ions of the sulfur,BKS compoundshave particular propertie s,which affect thetauto meric equili brium and stability of different conformers . The present paper is aninvestigation on the molecular structure and relative stability of different tauto mers of BK S compoun ds,and a comparison between their tautomerization and that inBDK co mpounds.

کلیدواژه ها:

β-Ket o sulfoxide ، Tautomerism ، M olecular structure ، Intramolecular hydrogen bonding ، D FT ، NBO