theoretical and conformational study of pinched-cone interconversion in monosubstituted tri-methylsilyle ethynyl derivative of calix[4]arene
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abstract
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.
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Theoretical and Conformational Study of Pinched-cone Interconversion in monosubstituted tri-methylsilyle ethynyl Derivative of Calix[4]arene
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.
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Journal title:
journal of physical & theoretical chemistryISSN
volume 2
issue 3 2005
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