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Volumn 101, Issue 31, 1997, Pages 5712-5718

Energy component analysis of the pseudo-Jahn-Teller effect in the ground and electronically excited states of the cyclic conjugated hydrocarbons: Cyclobutadiene, benzene, and cyclooctatetraene

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; BUTADIENE; ELECTRON ENERGY LEVELS; KINETIC THEORY; MOLECULAR STRUCTURE; POLARIZATION;

EID: 0031176624     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp970615r     Document Type: Article
Times cited : (38)

References (67)
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    • The d exponent was 0.8 for carbon atoms
    • The d exponent was 0.8 for carbon atoms.
  • 21
    • 0000975585 scopus 로고
    • Paquette, L. A. Tetrahedron 1975, 31, 2855; Pure Appl. Chem. 1982, 54, 987.
    • (1975) Tetrahedron , vol.31 , pp. 2855
    • Paquette, L.A.1
  • 22
    • 84961474198 scopus 로고
    • Paquette, L. A. Tetrahedron 1975, 31, 2855; Pure Appl. Chem. 1982, 54, 987.
    • (1982) Pure Appl. Chem. , vol.54 , pp. 987
  • 28
    • 0342638077 scopus 로고
    • Kollmar, H.; Steammler, V. J. Am. Chem. Soc. 1977, 99, 3583; Theor. Chim. Acta 1978, 48, 223.
    • (1978) Theor. Chim. Acta , vol.48 , pp. 223
  • 34
    • 0003691438 scopus 로고
    • John Wiley & Sons: New York, and references therein
    • Borden, W. T. Diradicals; John Wiley & Sons: New York, 1982; pp 1-66, and references therein.
    • (1982) Diradicals , pp. 1-66
    • Borden, W.T.1
  • 53
    • 34547569019 scopus 로고
    • Bader, R. F. W. Mol. Phys. 1960, 3, 137; Can. J. Chem. 1962, 40, 1164.
    • (1960) Mol. Phys. , vol.3 , pp. 137
    • Bader, R.F.W.1
  • 54
    • 34547569019 scopus 로고
    • Bader, R. F. W. Mol. Phys. 1960, 3, 137; Can. J. Chem. 1962, 40, 1164.
    • (1962) Can. J. Chem. , vol.40 , pp. 1164
  • 59
    • 85033281151 scopus 로고    scopus 로고
    • 2h in the ground state. See refs 39-41
    • 2h in the ground state. See refs 39-41.
  • 60
    • 85033302691 scopus 로고    scopus 로고
    • Lehn et al. first pointed out in ref 47 that the nuclear-electron attraction energy plays an essential role in stabilizing the tub structure of cyclooctatetraene
    • Lehn et al. first pointed out in ref 47 that the nuclear-electron attraction energy plays an essential role in stabilizing the tub structure of cyclooctatetraene.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.