Theoretical and Conformational Study of Pinched-cone Interconversion in monosubstituted tri-methylsilyle ethynyl Derivative of Calix[4]arene
الموضوعات : Journal of Physical & Theoretical Chemistry
Saeed Taghavaei-Gangali
1
(Not-mentioned)
Saeed Taghvaei-Gangali
2
(Not-mentioned)
shahram moradi
3
(Not-mentioned)
Kambiz Tahvildari
4
(Not-mentioned)
الکلمات المفتاحية: Pinched-cone interconversion, Calix[4]arene, Conformational study,
ملخص المقالة :
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.
