Am1 study of Conformational properties of (E)-Cyclononene

The unsymmetrical chair–chair (CC) conformation of (E)-cyclononene is calculated to be 5.7 kJ/mol more stable than the axial-symmetrical twist-chair-chair (TCC) form; the calculated energy barrier for ring inversion of the CC conformation is 45.6 kJ/mol, while the barrier for swivelling of the doubl...

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Bibliographic Details
Published inJournal of chemical research Vol. 2000; no. 8; pp. 384 - 385
Main Authors Yavari, Issa, Kabiri-Fard, Hassan, Moradi, Shahram
Format Journal Article
LanguageEnglish
Published 01.08.2000
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Summary:The unsymmetrical chair–chair (CC) conformation of (E)-cyclononene is calculated to be 5.7 kJ/mol more stable than the axial-symmetrical twist-chair-chair (TCC) form; the calculated energy barrier for ring inversion of the CC conformation is 45.6 kJ/mol, while the barrier for swivelling of the double bond through the polyethylene bridge is 119.5 kJ/mol.
ISSN:1747-5198
2047-6507
DOI:10.3184/030823400103167769