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Volumn 68, Issue 24, 2003, Pages 9441-9452

Molecular Orbital Calculations of Ring Opening of the Isoelectronic Cyclopropylcarbinyl Radical, Cyclopropoxy Radical, and Cyclopropylaminium Radical Cation Series of Radical Clocks

Author keywords

[No Author keywords available]

Indexed keywords

ENTHALPY; ENTROPY; FREE ENERGY; FREE RADICALS; PHOTOIONIZATION; POSITIVE IONS; RING OPENING POLYMERIZATION;

EID: 0345686437     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo035085b     Document Type: Article
Times cited : (39)

References (80)
  • 36
    • 0042789931 scopus 로고
    • (n) For synthetic applications, see: Dowd, P.; Zhang, W. Chem. Rev. 1993, 93, 2091; and Hartung, J.; Gottwald, T.; Spehar, K. Synthesis 2002, 1469.
    • (1993) Chem. Rev. , vol.93 , pp. 2091
    • Dowd, P.1    Zhang, W.2
  • 37
    • 0036360649 scopus 로고    scopus 로고
    • (n) For synthetic applications, see: Dowd, P.; Zhang, W. Chem. Rev. 1993, 93, 2091; and Hartung, J.; Gottwald, T.; Spehar, K. Synthesis 2002, 1469.
    • (2002) Synthesis , pp. 1469
    • Hartung, J.1    Gottwald, T.2    Spehar, K.3
  • 69
    • 0345622239 scopus 로고    scopus 로고
    • note
    • -1, in the negative sense, were considered insignificant.
  • 70
    • 0345190033 scopus 로고    scopus 로고
    • The Swiss Center for Scientific Computing
    • Portmann, S. The Swiss Center for Scientific Computing. www.cscs.ch/molekel.
    • Portmann, S.1
  • 74
    • 0345190076 scopus 로고    scopus 로고
    • note
    • The π-carbonyl bond energy was calculated by a method similar to that in ref 31 for the π-bond energy of ethylene. The heat of the reaction methoxy radical to formaldehyde and hydrogen atom is calculated to be 36.2 kcal/mol by the group additivity method of Benson.31 With this value and the O-H bond dissociation energy of methanol of 104.4 kcal/mol 33 one obtains 68.2 kcal/mol for the π-carbonyl bond energy in formaldehyde.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.