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Volumn 119, Issue 30, 1997, Pages 7075-7083

Magnetic evidence for the aromaticity and antiaromaticity of charged fluorenyl, indenyl, and cyclopentadienyl systems

Author keywords

[No Author keywords available]

Indexed keywords

ANION; CYCLOPENTADIENE DERIVATIVE; FLUORENE DERIVATIVE; INDENE DERIVATIVE;

EID: 1842333329     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja970380x     Document Type: Article
Times cited : (223)

References (61)
  • 29
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    • (a) Pascal P. Ann. Chim. Phys. 1910, 19, 5-70; 1912, 25, 289-377; 1913, 28, 218-243.
    • (1910) Ann. Chim. Phys. , vol.19 , pp. 5-70
    • Pascal, P.1
  • 30
    • 0001023570 scopus 로고
    • (a) Pascal P. Ann. Chim. Phys. 1910, 19, 5-70; 1912, 25, 289-377; 1913, 28, 218-243.
    • (1912) Ann. Chim. Phys. , vol.25 , pp. 289-377
  • 31
    • 0001655096 scopus 로고
    • (a) Pascal P. Ann. Chim. Phys. 1910, 19, 5-70; 1912, 25, 289-377; 1913, 28, 218-243.
    • (1913) Ann. Chim. Phys. , vol.28 , pp. 218-243
  • 34
    • 33947299620 scopus 로고
    • (c) Dauben, H. J., Jr.; Wilson, J. D.; Laity, J. L. J. Am. Chem. Soc. 1968, 90, 811-813; 1969, 91, 1991-1998.
    • (1969) J. Am. Chem. Soc. , vol.91 , pp. 1991-1998
  • 42
    • 0001001560 scopus 로고
    • Antiaromaticity: Evidence from Magnetic Criteria
    • Bernardi, F., Rivail, J.-L., Eds.; American Institut of Physics: Woodbury, NY
    • Jiao, H.; Schleyer, P. v. R. Antiaromaticity: Evidence from Magnetic Criteria, AIP Proceedings 330, E.C.C.C.1., Computational Chemistry; Bernardi, F., Rivail, J.-L., Eds.; American Institut of Physics: Woodbury, NY, 1995; p 107.
    • (1995) AIP Proceedings 330, E.C.C.C.1., Computational Chemistry , pp. 107
    • Jiao, H.1    Schleyer, P.V.R.2
  • 56
    • 1842267936 scopus 로고    scopus 로고
    • note
    • In order to delete specific basis functions in the molecular Orbitals, their one-electron integrals are set to very high positive values (e.g. 5000 au) and zeros are assigned to their overlap integrals with all other basis functions. Consequently, the molecular orbital coefficients of these functions in the occupied molecular orbitals become negligible and they do not contribute to the molecular energy.
  • 61
    • 0001738643 scopus 로고
    • Sapse, A.-M., Schleyer, P. v. R., Eds.; John Wiley & Sons, Inc.: New York, Chapter 5
    • (b) For a review, see: Bauer, W. Lithium Chemistry, A Theoretical and Experimental Overview; Sapse, A.-M., Schleyer, P. v. R., Eds.; John Wiley & Sons, Inc.: New York, 1995; Chapter 5, pp 125-172.
    • (1995) Lithium Chemistry, A Theoretical and Experimental Overview , pp. 125-172
    • Bauer, W.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.