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Volumn 106, Issue 44, 2002, Pages 10550-10553

Reaction of the butadiene cation with ethylene in the gas phase

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOHEXENE;

EID: 0037038208     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0265135     Document Type: Article
Times cited : (9)

References (27)
  • 18
    • 0004004023 scopus 로고    scopus 로고
    • NIST Standard Reference Database Number 69; Mallard, W.G., Linstrom, P.J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, February
    • Lias, S.G. Ionization Energy Evaluation; NIST Chemistry WebBook; NIST Standard Reference Database Number 69; Mallard, W.G., Linstrom, P.J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, February 2000 (http://webbook.nist.gov).
    • (2000) Ionization Energy Evaluation
    • Lias, S.G.1
  • 19
    • 0011402167 scopus 로고    scopus 로고
    • note
    • At the CCSD(T)) level of theory, the cis-butadiene radical cation is calculated to be ca. 4 kcal/mol higher in energy than the trans isomer and therefore can be only barely accessed in the reaction between the benzene radical cation and trans-butadiene. Therefore, the amount of cis-butadiene radical cation is not likely greater than the thermal population of neutral cis-butadiene, < 1% at room temperature. The barrier for cis-trans isomerization in the butadiene radical cation is calculated to be about 25 kcal/mol, and the reaction will not occur appreciably under thermal conditions.
  • 22
    • 0011498261 scopus 로고    scopus 로고
    • note
    • Small differences in the measured appearance curves for each ion are observed on different days, but the relative variations are consistently observed. Absolute standard deviations of appearance-curve properties are listed in Table 1.
  • 23
    • 0011448412 scopus 로고    scopus 로고
    • note
    • Normalization at 25 eV is arbitrary and is chosen to match the appearance curves shown in Figure 2. The conclusions of this study do not depend on the energy chosen as the normalization point.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.