Bond energy, aromatic stabilization energy and strain in IPR fullerenes

Literature Information

Publication Date 2004-09-21
DOI 10.1039/B408903K
Impact Factor 6.222
Authors

Michał K. Cyrański, Siân T. Howard, Michał L. Chodkiewicz


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Abstract

Various models applied to DFT structures and energies of 2-D and 3-D aromatic molecules shed new light on the effects of strain and aromaticity in these systems. The cyclic π electron delocalisation does not stabilize the fullerene C60 formation; and 5–6 and 6–6 CC bonds have near-identical bond stretch potentials.

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