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Volumn 72, Issue 23, 2007, Pages 8770-8779

Energetics of the allyl group

Author keywords

[No Author keywords available]

Indexed keywords

CALORIMETRY; ENTHALPY; PHOTOACOUSTIC EFFECT; PROPYLENE; QUANTUM CHEMISTRY;

EID: 35948935559     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo701397r     Document Type: Article
Times cited : (24)

References (69)
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    • Sound Analysis, version 1.50D; Quantum Northwest: Spokane, WA, 1999.
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    • 3)-H BDE in 1,4-pentadiene determined by Trenwith (ref 53). The value for 3-methylbut-1-ene was determined in a previous work by the same author (ref 48).
    • 3)-H BDE in 1,4-pentadiene determined by Trenwith (ref 53). The value for 3-methylbut-1-ene was determined in a previous work by the same author (ref 48).
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    • It should be noted that Luo's selection is based on an early PAC result (ref 56) that depended on wrong assumptions and was latter reappraised by Laarhoven et al, ref 13) as 343.0 kJ mol-1. Although the older value was similar to those obtained through other techniques namely from appearance energy measurements reported in the same work, Laarhoven et al. considered that the PAC experiment cannot be used to determine this BDE since it is beset by errors resulting from competing reactions
    • -1. Although the older value was similar to those obtained through other techniques (namely from appearance energy measurements reported in the same work), Laarhoven et al. considered that the PAC experiment cannot be used to determine this BDE since it is beset by errors resulting from competing reactions.
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    • It should be pointed out that, as in the case of 1,4-pentadiene (see ref 57, the older PAC result (ref 61) quoted by Luo was latter reappraised by Laarhoven et al, ref 13) and coincides with the most recent PAC value reported in the literature, 322.2 kJ mol-1 ref 62
    • -1 (ref 62).
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    • Afeefy, H. Y.; Liebman, J. F.; Stein, S. E. In NIST Chemistry WebBook; NIST Standard Reference Database No. 69 (http://webbook.nist.gov); Linstrom, P. J., Mallard, W. G., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, 2005.
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    • The comparison should not be made with the C-H BDE in ethane, because the ethyl radical is stabilized by hyperconjugation
    • The comparison should not be made with the C-H BDE in ethane, because the ethyl radical is stabilized by hyperconjugation.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.