Author/Authors :
Pedro Merino، نويسنده , , Tomas Tejero، نويسنده , , Ugo Chiacchio، نويسنده , , Giovanni Romeo، نويسنده , , Antonio Rescifina، نويسنده ,
Abstract :
The 1,3-dipolar cycloaddition of C-(hetaryl) nitrones with electron-poor and electron-rich alkenes is rationalized. The energetics of the cycloaddition reactions have been investigated through molecular orbital calculations at the B3LYP/6-31-G(d) theory level. By studying different reaction channels and reagent conformations the regio- and stereochemical preferences of the reaction are discussed.
