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

Subject Areas : Journal of Physical & Theoretical Chemistry

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Received: 2015-05-09 Accepted : 2015-05-09 Published : 2008-05-01

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

Abstract :

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.

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