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Volumn 65, Issue 18, 2000, Pages 5480-5486

Toward an understanding of the mechanisms of the intramolecular [5 + 2] cycloaddition reaction of γ-pyrones bearing tethered alkenes. A theoretical study

Author keywords

[No Author keywords available]

Indexed keywords

4 PYRONE DERIVATIVE; ALKENE;

EID: 0033832986     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo000061f     Document Type: Article
Times cited : (21)

References (51)
  • 13
    • 0003354199 scopus 로고
    • Geometry Optimization on Potential Energy Surface
    • Yarkony D. R., Ed.; Singapore
    • (b) Schlegel, H. B. Geometry Optimization on Potential Energy Surface. In Modern Electronic Structure Theory; Yarkony D. R., Ed.; Singapore, 1994.
    • (1994) Modern Electronic Structure Theory
    • Schlegel, H.B.1
  • 40
    • 37049149619 scopus 로고
    • Since experimental activation parameters are not available for this [5 + 2] cycloaddition, the B3LYP/6-31G activation Gibbs energy can be compared with that found experimentally for the dimerization of cyclobutadiene at 127 °C (ΔG‡ = 33.8 kcal/mol). (a) Benford, G. A.; Wassermann A. J. Chem. Soc. 1939, 362. (b) Wassermann A. Monatsh. Chem. 1952, 83, 543.
    • (1939) J. Chem. Soc. , pp. 362
    • Benford, G.A.1    Wassermann, A.2
  • 41
    • 0001234402 scopus 로고
    • Since experimental activation parameters are not available for this [5 + 2] cycloaddition, the B3LYP/6-31G activation Gibbs energy can be compared with that found experimentally for the dimerization of cyclobutadiene at 127 °C (ΔG‡ = 33.8 kcal/mol). (a) Benford, G. A.; Wassermann A. J. Chem. Soc. 1939, 362. (b) Wassermann A. Monatsh. Chem. 1952, 83, 543.
    • (1952) Monatsh. Chem. , vol.83 , pp. 543
    • Wassermann, A.1
  • 51
    • 0342828473 scopus 로고    scopus 로고
    • note
    • As the solvent used in the experimental work is toluene, we have used its dielectric constant, ∈ = 2.38.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.