Penultimate Intermediates to C60 and C70 |
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| Authors: | Kazuhiko Honda Eiji [Obar]sawa |
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| Affiliation: | Department of Knowledge-Based Information Engineering , Toyohashi University of Technology , Tempaku-cho, Toyohashi 441, Aichi-ken, Japan |
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| Abstract: | Abstract Penultimate intermediates leading to C60 and C70 fullerenes contain one or two pairs of pentalene units and 32 to 55 kcal/mol less stable than the final products. Energy barriers of pyracylene rearrangements from these intermediates to the final products are computed to be 118 to 125 kcal/mol in height by MOPAC/AM1, which are comparable to those of preceding steps in the Stone-Wales rearrangement cascade. |
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