메뉴 건너뛰기




Volumn 70, Issue 20, 2005, Pages 8110-8116

G3(MP2) ring strain in bicyclic phosphorus heterocycles and their hydrocarbon analogues

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; MOLECULAR STRUCTURE; PHOSPHORUS; SUBSTITUTION REACTIONS;

EID: 25444462561     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo0513010     Document Type: Article
Times cited : (19)

References (54)
  • 17
    • 25444433996 scopus 로고    scopus 로고
    • Schleyer, P. v. R. et al., Eds.; John Wiley & Sons: Chicester; published on the web
    • (b) Goumans, T. P. M.; Ehlers, A. W.; Lammertsma, K. Encyclopedia of Computational Chemistry; Schleyer, P. v. R. et al., Eds.; John Wiley & Sons: Chicester, 2004; published on the web, http://www.mrw.interscience.wiley.com/ ecc/articles/cn0067/frame.html.
    • (2004) Encyclopedia of Computational Chemistry
    • Goumans, T.P.M.1    Ehlers, A.W.2    Lammertsma, K.3
  • 31
    • 25444491119 scopus 로고    scopus 로고
    • Ph.D. Thesis, Vrije Universiteit Amsterdam (NL)
    • Wit, J. B. M. Ph.D. Thesis, Vrije Universiteit Amsterdam (NL), 2001.
    • (2001)
    • Wit, J.B.M.1
  • 38
    • 25444523108 scopus 로고    scopus 로고
    • Moss, R. A., Platz, M. S., Jones, M., Jr., Eds. John Wiley & Sons: New Jersey
    • Wiberg, K. B. Reactive Intermediate Chemistry; Moss, R. A., Platz, M. S., Jones, M., Jr., Eds. John Wiley & Sons: New Jersey, 2004; pp 717-740.
    • (2004) Reactive Intermediate Chemistry , pp. 717-740
    • Wiberg, K.B.1
  • 48
    • 25444471701 scopus 로고    scopus 로고
    • note
    • From ref 10: SE = 21.4 kcal/mol for the parent phosphirane.
  • 49
    • 25444477141 scopus 로고    scopus 로고
    • note
    • 2 carbon present in the fused system. Therefore, calculation of excess strain based on these structures can only serve as an indication.
  • 53
    • 25444457150 scopus 로고    scopus 로고
    • note
    • The lowest-energy conformations of 6E and 4E are different. To obtain a "proper" SSE, the same conformers were compared. For 6E this conformer is 1.8 kcal/mol less stable than the one that is displayed and used for calculating the SE and ESE values. See Supporting Information for details.
  • 54
    • 0001749164 scopus 로고
    • Based on the ideal CPC phosphirene angle of 44°, cf. Mathey, F. Chem. Rev. 1990, 90, 997-1025.
    • (1990) Chem. Rev. , vol.90 , pp. 997-1025
    • Mathey, F.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.