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

محورهای موضوعی : Journal of Physical & Theoretical Chemistry

Saeed Taghavaei-Gangali ¹ , Saeed Taghvaei-Gangali ² , shahram moradi ³ , Kambiz Tahvildari ⁴

1 - Not-mentioned
2 - Not-mentioned
3 - Not-mentioned
4 - Not-mentioned

تاریخ دریافت : 1394/02/19 تاریخ پذیرش : 1394/02/19 تاریخ انتشار : 1384/08/10

کلید واژه: Pinched-cone interconversion, Calix[4]arene, Conformational study,

چکیده مقاله :

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