SİLANONLARIN ELEKTRONİK YAPILARININ VE HİDRASYON MEKANİZMALARININ TEORİK İNCELENMESİ


Şahan H., Göktepe H., Ünal D., Sarıpınar E.

Erciyes Üniversitesi Fen Bilimleri Enstitüsü Dergisi, cilt.20, sa.1, ss.77-86, 2004 (Hakemli Dergi)

Özet

 Conformational analysis and semiempirical calculation were carried out for some derivatives of silanones with the common skeleton I by means of the PM3 method. The analysis of the electron density distribution as a function of the nature of substituents was performed on the basis of the data obtained. The reactions of H2O with silanone have been studied by PM3 semiempirical calculations in gas phase. Attack by H2O through four membered cyclic transition states is found. It was determined that the addition of H2O to Si=O bond of silanone gave silandiol.