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Volumn 69, Issue 6, 2004, Pages 2123-2127

Lithiated Hydrocarbons, Their Conjugate Bases, and Corresponding Radicals: A Computational Study of RLi (R = CH3, CH3CH2, CH2=CH, and HC≡C)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; FREE RADICALS; GROUND STATE; MASS SPECTROMETRY; OPTIMIZATION;

EID: 1642361811     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo035432h     Document Type: Article
Times cited : (10)

References (50)
  • 6
    • 1642336025 scopus 로고
    • Sapse, A.-M., Schleyer, P. v. R., Eds.; Wiley-Interscience: New York
    • (a) Lithium Chemistry: A Theoretical and Experimental Overview; Sapse, A.-M., Schleyer, P. v. R., Eds.; Wiley-Interscience: New York: 1995; pp 1-595.
    • (1995) Lithium Chemistry: A Theoretical and Experimental Overview , pp. 1-595
  • 19
    • 36449001370 scopus 로고    scopus 로고
    • Erratum
    • (c) Knowles, P. J.; Hampel, C.; Werner, H.-J. J. Chem. Phys. 1993, 99, 5219-5227; erratum: J. Chem. Phys. 2000, 112, 3106.
    • (2000) J. Chem. Phys. , vol.112 , pp. 3106
  • 40
    • 1642383309 scopus 로고    scopus 로고
    • note
    • This appears to be a general result for α-lithio anions.
  • 41
    • 0003464216 scopus 로고    scopus 로고
    • Mallard, W. G., Linstrom, P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD
    • All of the cited thermochemistry, unless otherwise noted, comes from the following reference: Bartmess, J. E. In Secondary NIST Chemistry WebBook, NIST Standard Reference Database Number 69, Mallard, W. G., Linstrom, P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD (http://webbook.nist.gov).
    • Secondary NIST Chemistry WebBook, NIST Standard Reference Database Number 69
    • Bartmess, J.E.1
  • 43
    • 0001751358 scopus 로고
    • Similar results have been noted for the conversion of a monolithio compound to a dilithio species. (a) Streitwieser, A., Jr.; Swanson, J. T. J. Am. Chem. Soc. 1983, 105, 2502-2503.
    • (1983) J. Am. Chem. Soc. , vol.105 , pp. 2502-2503
    • Streitwieser Jr., A.1    Swanson, J.T.2
  • 47
    • 1642391303 scopus 로고    scopus 로고
    • note
    • In general, the Mulliken charges are ∼0.3 smaller than those from the natural population analysis.
  • 49
    • 1642399411 scopus 로고    scopus 로고
    • note
    • Actually, it is possible to observe ions with negative electron binding energies, but they are so short-lived that nobody has been able to study the reactivity of such species.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.