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Volumn 64, Issue 11, 1999, Pages 3922-3929

Theoretical study of the 1,3-dipolar cycloaddition reactions of azomethine ylides. A DFT study of reaction between trifluoromethyl thiomethyl azomethine ylide and acronitrile

Author keywords

[No Author keywords available]

Indexed keywords

ALLYL COMPOUND; ANION; AZOMETHINE YLIDE; METHYL GROUP; NITRILE; TRIFLUOROMETHYLTHIOMETHYLAZOMETHINE YLIDE; UNCLASSIFIED DRUG;

EID: 0033612308     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo9822683     Document Type: Article
Times cited : (75)

References (47)
  • 28
    • 0003354199 scopus 로고
    • Geometry Optimization on Potential Energy Surface
    • Yarkony D. R., Ed.; World Scientific Publishing: Singapore
    • (b) Schlegel, H. B. Geometry Optimization on Potential Energy Surface. In Modern Electronic Structure Theory; Yarkony D. R., Ed.; World Scientific Publishing: Singapore, 1994.
    • (1994) Modern Electronic Structure Theory
    • Schlegel, H.B.1
  • 39
    • 0344483170 scopus 로고    scopus 로고
    • The deprotonation processes of the amidium cation 1 with DBU to give R1 and R2 have been studied at the HF/6-31G* level. The two competitive reactive channels present TSs with similar energies (less than 0.1 kcal/mol). This result disagrees with the stereochemical outcome if an irreversible acid-base process is considered
    • The deprotonation processes of the amidium cation 1 with DBU to give R1 and R2 have been studied at the HF/6-31G* level. The two competitive reactive channels present TSs with similar energies (less than 0.1 kcal/mol). This result disagrees with the stereochemical outcome if an irreversible acid-base process is considered.
  • 44


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.