Issue 8, 1998

Absolute configuration of chiral fullerenes and covalent derivatives from their calculated circular dichroism spectra

Abstract

The theoretical circular dichroism (CD) spectra of optically active C60 and C70 bis-adducts with chiral functionalization patterns and of the enantiomers of inherently chiral D2-C76 and its mono-adducts were calculated by the π-electron SCF-CI-DV MO method. By comparison with the experimental CD spectra, the absolute configurations of these compounds were assigned.

Article information

Article type
Paper

J. Chem. Soc., Perkin Trans. 2, 1998, 1719-1724

Absolute configuration of chiral fullerenes and covalent derivatives from their calculated circular dichroism spectra

H. Goto, N. Harada, J. Crassous and F. Diederich, J. Chem. Soc., Perkin Trans. 2, 1998, 1719 DOI: 10.1039/A803689F

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