Author/Authors :
قدسي، فاطمه نويسنده , , مراديان، مجيد نويسنده , , حبيبي خراساني، سيد مصطفي نويسنده Habibi-Khorassani, Sayyed Mostafa , مقصود لو، ملك طاهر نويسنده Department of Chemistry, The University of Sistan and Balouchestan, P. O. Box 98135-674, Zahedan,Iran. Maghsoodlou, Malek Taher , فضيلت خواه، مليحه نويسنده - , , كيان پور، شيوا نويسنده Department of Chemistry, The University of Sistan and Balouchestan, P. O. Box 98135-674, Zahedan,Iran. Kianpour, Shiva
Abstract :
Stable crystalline phosphorus ylide was obtained in excellent yield, in the presence of phtalimide as a NHheterocyclic
compound. This ylide exists in the solution as a mixture of the two isomers at ambient temperature, so dynamic 1H
NMR effects were investigated at different temperatures around the carbon-carbon single bond and carbon-carbon double bond
in the two Z- and E- rotational isomers. In addition, theoretical studies were performed on the same bonds using ab initio
methods at HF/6-31G(d,p) and B3LYP/6-31G(d,p) levels of theory. As a results,HF/6-31G(d,p) level provides better results in
comparison with dynamic 1H NMR data.
