Theoretical Study of Exo-Endo Interconversion of [(R)Ca1ixTMS2]Sn

الموضوعات : Journal of Physical & Theoretical Chemistry

Avat (Arman) Taherpour ¹ (-)

تاريخ الإرسال : 20 السبت , رجب, 1436 تاريخ التأكيد : 20 السبت , رجب, 1436 تاريخ الإصدار : 25 الخميس , ربيع الثاني, 1429

الکلمات المفتاحية: Calixpllarenes, Sn-complex, PM3, Molecular modeling, Liquid crystals, Izomerization,

ملخص المقالة :

The 1, 3-bis(trimethyl silyl)ether of p-tert-butyl calix[4]arene, Rt-Bu)Ca1ixTMS21112, has beensynthesized and used as a dianionic ligand for "Sn". The complex of [(t-Bu)Ca1ixTMS2]Snexhibits exo and endo isomerism. The structural properties of [(Rp)Ca1ixTMS2]Sn, (Rpara= H,CH3, t-Bu) and the inter conversion of exoendo isomers were investigated by using of SCF-MOPM3 method.