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The energies calculated using the 6-311+G* basis set are not reported. In most cases, they were within 1 kcal/mol of the energies calculated with the 6-311++G** basis set; in all cases, they were within 5 kcal/mol.
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The spectra of matrix-isolated acenaphthyne was first reported by Chapman et al. in 1981 (Chapman, O. L.; Gano, J.; West, P. R. J. Am. Chem. Soc. 1981, 103, 7033). The radical anion was recently synthesized by Broadus and Kass (Broadus, K. M.; Kass, S. R. J. Am. Chem. Soc. 2001, 123, 4189.)
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The spectra of matrix-isolated acenaphthyne was first reported by Chapman et al. in 1981 (Chapman, O. L.; Gano, J.; West, P. R. J. Am. Chem. Soc. 1981, 103, 7033). The radical anion was recently synthesized by Broadus and Kass (Broadus, K. M.; Kass, S. R. J. Am. Chem. Soc. 2001, 123, 4189.)
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The closest known compound is tris(benzocyclobutadieno)-benzene, first synthesized by Diercks and Vollhardt (J. Am. Chem. Soc. 1986, 108, 3150). Thummel's group synthesized the saturated tricyclobutabenzene in 1979 (Nutakul, W.; Thummel, R. P.; Taggart, A. D. J. Am. Chem. Soc. 1979, 101, 770).
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The closest known compound is tris(benzocyclobutadieno)-benzene, first synthesized by Diercks and Vollhardt (J. Am. Chem. Soc. 1986, 108, 3150). Thummel's group synthesized the saturated tricyclobutabenzene in 1979 (Nutakul, W.; Thummel, R. P.; Taggart, A. D. J. Am. Chem. Soc. 1979, 101, 770).
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Unpublished results; at the B3LYP/6-31G* level, the interior bonds of corannulene shorten by 0.017 and 0.020 Å at the TS, while the exterior bonds lengthen by 0.014 and 0.015 Å.
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2+ it is 83°, consistent with this idea.
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