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Issue 10, 2002

Some cycloadditions of dienes with C60F18: structures and relative stabilities derived from theoretical calculation

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Abstract

The energies of various isomeric cycloaddition products of C60F18 with anthracene, buta-1,3-diene and benzene are calculated using a semi-empirical method. The energies are variously correlated with each other and with the Coulson free valence index and it is argued that the dominant effect that governs position of attack is electronic rather than steric in nature.

Graphical abstract: Some cycloadditions of dienes with C60F18: structures and relative stabilities derived from theoretical calculation

Article information


Submitted
08 May 2002
Accepted
08 Aug 2002
First published
11 Sep 2002

J. Chem. Soc., Perkin Trans. 2, 2002, 1718-1721
Article type
Paper

Some cycloadditions of dienes with C60F18: structures and relative stabilities derived from theoretical calculation

J. P. B. Sandall, P. W. Fowler and R. Taylor, J. Chem. Soc., Perkin Trans. 2, 2002, 1718 DOI: 10.1039/B204401C

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