Theoretical and Conformational Study of Pinched-cone Interconversion in monosubstituted tri-methylsilyle ethynyl Derivative of Calix[4]arene

Abstract

The conformational behavior of monosubstituted tri-methylsilyle ethynyl Derivative of Cal ix[4]arene as a new<br />generation of Caliarene was compared with tetra alkylated calyx[4]arene. The most important conformational<br />phenomena in these compounds which are pinched cone interconversion process were done by semi-empirical<br />method and ab initio calculations with Gaussian 98w programming.