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Title
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Conformational properties of Chairal Stabilities of Hexamethylcyclononane and Its Oxygen Analogues
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Type
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Presentation
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Keywords
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Hexamethylcyclononane, Conformational properties; trimeric; semi-empirical; strain—energy
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Abstract
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The most stable conformation of l,l,4,4’7’7—hexamethyl-cycloncnane and trimeric acetone peroxide is the chiral twist—chair form with D3 symmetry. The conformations and confrornational interconversion pathway for receimization of these compounds are studied by molecular mechanics and semi—empirical PH3 methods. The agreement between the calculated and experimental data is fairly good. The calculated strain—energy barrier for racemization of these molecules is high enough to permit their resolution at room temperature, Various aspects of these molecules will be presented and discussed.
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Researchers
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Davood Nori Shargh (Third Researcher), yavari Issa (Second Researcher), Farough Nasiri (First Researcher)
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