Issue 12, 1994

Bowl-to-bowl inversion in polynuclear aromatic hydrocarbons with curved surfaces: an ab initio study

Abstract

Ab initio calculations predict planar transition states for bowl-to-bowl inversions in corannulene, ethenocorannulene and semibuckminsterfullerene with barriers of 14.4, 34.4 and ca. 74 kcal mol–1, (1 cal = 4.184 J), respectively, but a non-planar transition states for 1,2-dihydrocorannulene with a barrier of 10.9 kcal mol–1.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1994, 1497-1499

Bowl-to-bowl inversion in polynuclear aromatic hydrocarbons with curved surfaces: an ab initio study

A. Sygula and P. W. Rabideau, J. Chem. Soc., Chem. Commun., 1994, 1497 DOI: 10.1039/C39940001497

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