메뉴 건너뛰기




Volumn 104, Issue 12, 2000, Pages 2780-2787

α-Substituted Vinyl Cations: Stabilities and Electronic Properties

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001380539     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9935743     Document Type: Article
Times cited : (25)

References (60)
  • 1
    • 0041931556 scopus 로고    scopus 로고
    • Vinyl cations: How it all began
    • Rappoport, Z., Stang, P. J., Eds.; Wiley: West Sussex, UK, Chapter 1
    • (a) Grob, C. A. Vinyl cations: how it all began. In Dicoordinated Carbocations; Rappoport, Z., Stang, P. J., Eds.; Wiley: West Sussex, UK, 1997; Chapter 1.
    • (1997) Dicoordinated Carbocations
    • Grob, C.A.1
  • 4
    • 0042432587 scopus 로고
    • Abramovitch, R. A., Ed.; Plenum: New York, Chapter 7
    • (b) Rappoport, Z. Reactive Intermediates; Abramovitch, R. A., Ed.; Plenum: New York, 1983; Chapter 7, Vol. 3.
    • (1983) Reactive Intermediates , vol.3
    • Rappoport, Z.1
  • 5
    • 0042933318 scopus 로고    scopus 로고
    • Rappoport, Z., Stang, P. J., Eds.; Wiley: West Sussex, UK. Chapter 8
    • (a) Lodder, G.; Dicoordinated Carbocations; Rappoport, Z., Stang, P. J., Eds.; Wiley: West Sussex, UK. 1997; Chapter 8.
    • (1997) Dicoordinated Carbocations
    • Lodder, G.1
  • 9
    • 85037498218 scopus 로고    scopus 로고
    • Rappoport, Z., Stang, P. J., Eds.; Wiley: West Sussex, UK, Chapter 2
    • Apeloig, Y.; Müller, T. Dicoordinated Carbocations; Rappoport, Z., Stang, P. J., Eds.; Wiley: West Sussex, UK, 1997; Chapter 2.
    • (1997) Dicoordinated Carbocations
    • Apeloig, Y.1    Müller, T.2
  • 11
    • 33947086617 scopus 로고
    • 3: (a), (b), (c), (e), (f), (g), (h), (k), (m), and (q). References to R = Cl: (d), (l), (p), and (q). References to R = F: (b), (d), (j), and (q). (a) Radom, L.; Hariharan, P. C.; Pople, J. A.; Schleyer, P. v. R. J. Am. Chem. Soc. 1973, 95, 6531-6544.
    • (1973) J. Am. Chem. Soc. , vol.95 , pp. 6531-6544
    • Radom, L.1    Hariharan, P.C.2    Pople, J.A.3    Schleyer, P.V.R.4
  • 38
    • 85037517411 scopus 로고    scopus 로고
    • Scaling factors were 0.9806 for all B3LYP calculations, 0.9661 for MP2/6-31G(d), and 0.97481 for MP2/6-31lG(d,p) and MP2/6-311+G(d,p), according to ref 14b
    • (a) Scaling factors were 0.9806 for all B3LYP calculations, 0.9661 for MP2/6-31G(d), and 0.97481 for MP2/6-31lG(d,p) and MP2/6-311+G(d,p), according to ref 14b.
  • 41
    • 85037507005 scopus 로고
    • Ph.D. Thesis, University of Amsterdam
    • Vinyl fluoride: (a) Heck, A. J. R. Ph.D. Thesis, University of Amsterdam, 1993.
    • (1993)
    • Heck, A.J.R.1
  • 42
    • 2942651246 scopus 로고
    • Vinyl chloride, additional heats of formation: ref 15a
    • (b) Kolesov, V. P.; Papina, T. S. RUSS. J. Phys. Chem. 1970, 44, 611-613. Vinyl chloride, additional heats of formation: ref 15a.
    • (1970) Russ. J. Phys. Chem. , vol.44 , pp. 611-613
    • Kolesov, V.P.1    Papina, T.S.2
  • 46
    • 0003698548 scopus 로고
    • Academic Press: New York, Chapter 9
    • (f) Bowers, M. T. Gas-Phase Ion Chemistry; Academic Press: New York, 1979; Vol. 2, Chapter 9.
    • (1979) Gas-Phase Ion Chemistry , vol.2
    • Bowers, M.T.1
  • 48
    • 85037500276 scopus 로고    scopus 로고
    • note
    • 5 there is no reason to assume that the uncertainties for the other reaction enthalpies will be substantially lower than 5 kcal/mol. The benchmarking, however, is not performed using the reaction enthalpy data for one individual substituent, but using the data of the set of substituents (Figure 2), which partly annuls the individual uncertainties.
  • 55
    • 85037513926 scopus 로고    scopus 로고
    • note
    • 3, while changing these basis sets has virtually no effect on the reaction enthalpies (Table 1).
  • 56
    • 0042432579 scopus 로고
    • Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York
    • 5.21b (b) Bachrach, S. M. Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1994; pp 379-390.
    • (1994) Reviews in Computational Chemistry , pp. 379-390
    • Bachrach, S.M.1
  • 57
    • 85037517741 scopus 로고    scopus 로고
    • In Gaussian 94 only basis sets with only s, p, and d functions can be used for AIM calculations
    • In Gaussian 94 only basis sets with only s, p, and d functions can be used for AIM calculations.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.