Abstracts of Symposium on Physical Organic Chemistry
22nd Symposium on Physical Organic Chemistry
Session ID : 1P138
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Poster Session (The 1st day)
Substituent Effects on Bowl Structure and Bowl Inversion of Sumanenes
*Shuhei Higashibayashi, Uppula Purushotham, Soujanya Yarasi, G. Narahari Sastry, Hidehiro Sakurai
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Keywords: Substituted sumanenes, Substituent effect, Bowl structure, Bowl inversion energy, C3 Symmetry
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Abstract
Substituent effects were investigated on the bowl structure and bowl inversion of C3 symmetric trisubstituted sumanenes with various substituents with experimental and calculated data. It was found that the combination of steric and electronic effects by substituents determines the bowl depth and bowl inversion energy.
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© 2011 by The Society of Physical Organic Chemistry, Japan
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