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Volumn 102, Issue 19, 1998, Pages 3343-3351

Experimental and theoretical studies of MCF3+ (M = Fe and Co): Reactivities, structures, and potential energy surface for C-F activation

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001514965     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp981336m     Document Type: Article
Times cited : (30)

References (90)
  • 68
    • 0004251925 scopus 로고    scopus 로고
    • Freiser, B. S., Ed.; Kluwer Academic Publishers: Dordrecht, Chapter 1
    • Armentrout, P. B.; Kickel, B. L. In Organometallic Ion Chemistry; Freiser, B. S., Ed.; Kluwer Academic Publishers: Dordrecht, 1996; Chapter 1.
    • (1996) Organometallic Ion Chemistry
    • Armentrout, P.B.1    Kickel, B.L.2
  • 69
    • 0001810835 scopus 로고
    • Bowers, M. T., Ed.; Academic Press: New York
    • Su, T.; Bowers, M. T. In Gas Phase Ion Chemistry; Bowers, M. T., Ed.; Academic Press: New York, 1979; Vol. 1, p 83.
    • (1979) Gas Phase Ion Chemistry , vol.1 , pp. 83
    • Su, T.1    Bowers, M.T.2
  • 77
    • 85087245235 scopus 로고    scopus 로고
    • note
    • 3 radical with Becke3LYP/ 6-311+G*: R(C-F)= 1.323 Å, 〈F-C-F = 111.3°.
  • 80
    • 85087244704 scopus 로고    scopus 로고
    • note
    • 2 with Becke3LYP/6-311+G*: R(C-F) = 1.308 Å, 〈F-C-F = 104.6°.
  • 81
    • 85087245482 scopus 로고    scopus 로고
    • note
    • +-F) is calculated as 92.3 kcal/mol, which is in good agreement with the experimental value of 93.5 ± 7.5 kcal/mol (ref 27).
  • 84
    • 85087246695 scopus 로고    scopus 로고
    • note
    • +-F) is calculated as 91.9 kcal/mol using Becke3LYP with 6-311+G* for F and Wachters-Hay all-electron basis set for Co.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.