메뉴 건너뛰기




Volumn 63, Issue 15, 1998, Pages 4889-4897

The Simplest Azabutadienes in Their N-Protonated Forms. Generation, Stability, and Cycloaddition Reactivity in the Gas Phase

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0006452901     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo9715433     Document Type: Article
Times cited : (30)

References (59)
  • 37
    • 36449002507 scopus 로고
    • The G2 method adopts a composite procedure based effectively on QCISD-(T)/6-311G+(3df, 2p)//MP2(full)/6-31G((d) energies (evaluated by making certain additivity assumptions) together with ZPE and isogyric corrections, which have been shown to produce results with high accuracy in various chemical systems, see Curtis, L. A.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 1993, 98, 1293.
    • (1993) J. Chem. Phys. , vol.98 , pp. 1293
    • Curtis, L.A.1    Raghavachari, K.2    Pople, J.A.3
  • 47
    • 0001554389 scopus 로고
    • The product ion of m/z 101 arises from ethylation of ethyl vinyl ether by protonated ethyl vinyl ether (m/z 73); see Kenttämaa, H. I.; Cooks, R. G. J. Am. Chem. Soc. 1989, 111, 4122.
    • (1989) J. Am. Chem. Soc. , vol.111 , pp. 4122
    • Kenttämaa, H.I.1    Cooks, R.G.2
  • 54
    • 85034477391 scopus 로고    scopus 로고
    • note
    • MP2/6-31G(d, p)/6-31G(d, p//6-31G(d, p) energies (in hartrees) are ethanol (-154.56810) and the m/z 82 product (-249.05660). The O-protonated cycloadduct was found to be unstable with respect to dissociation to ethanol and the m/z 82 product.
  • 56
    • 85034474258 scopus 로고    scopus 로고
    • note
    • G2 total energies (in hartrees) of 1-aza-1,3-butadiene and 2-aza-1,3-butadiene are -171.70883 and -171.69968, respectively.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.