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Volumn 69, Issue 23, 2004, Pages 8093-8100

Dicyclobuta[de,ij]naphthalene and dicyclopenta[cd,gh]pentalene: A theoretical study

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; GROUND STATE; ISOMERS; MOLECULAR STRUCTURE;

EID: 8744315844     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo0486488     Document Type: Article
Times cited : (8)

References (52)
  • 6
    • 8744238597 scopus 로고    scopus 로고
    • note
    • 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.
  • 7
    • 33845558286 scopus 로고
    • 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.)
    • (1981) J. Am. Chem. Soc. , vol.103 , pp. 7033
    • Chapman, O.L.1    Gano, J.2    West, P.R.3
  • 8
    • 0034789191 scopus 로고    scopus 로고
    • 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.)
    • (2001) J. Am. Chem. Soc. , vol.123 , pp. 4189
    • Broadus, K.M.1    Kass, S.R.2
  • 11
    • 4043179956 scopus 로고
    • 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).
    • (1986) J. Am. Chem. Soc. , vol.108 , pp. 3150
  • 12
    • 0013695769 scopus 로고
    • 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).
    • (1979) J. Am. Chem. Soc. , vol.101 , pp. 770
    • Nutakul, W.1    Thummel, R.P.2    Taggart, A.D.3
  • 21
    • 8744241888 scopus 로고    scopus 로고
    • note
    • 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.
  • 52
    • 8744273242 scopus 로고    scopus 로고
    • note
    • 2+ it is 83°, consistent with this idea.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.