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    Please use this identifier to cite or link to this item: http://asiair.asia.edu.tw/ir/handle/310904400/2220


    Title: Carbon-13 NMR and PM3 Study on the Substituent Effect of 1-Aryl-3,3-difluoro-2- halocyclopropenes
    Authors: 李傳珍;Lee, Chuan-Chen;楊雅甄;Yang, Ya-Chen;Shaw-Tao Lin;林孝道;Li-Chun Chen;陳麗純
    Contributors: 保健營養生技學系
    Keywords: 3,3-Difluorocyclopropenes;Carbon-13;PM3 study;SCS;Hammett constants
    Date: 2006-08
    Issue Date: 2009-10-28 17:13:46 (UTC+8)
    Abstract: The substituent-induced chemical shifts (SCS) of C2 and C3 on the 13C NMR spectra of 1-aryl-3,3-difluoro-
    2-halocyclopropenes were studied. The correlation between SCS and Hammett constants shows
    that the tendency of effect by the substituents on the phenyl ring is BrC2( = 4.66) > ClC2( = 4.50) and
    ClC3( = -1.63) > BrC3( = -1.41). The DSP treatment further confirms the SCS of C2 and C3 are the
    main contribution of the resonance effect and field effect, respectively. Those results of the incremental
    shifts reveals that the gem-difluorocyclopropenyl bearing the phenyl group possesses a triple bond character,
    which is also observed in IR spectra with high C=C (1768-1945 cm-1).
    Relation: Journal of the Chinese Chemical Society, 53:915-921
    Appears in Collections:[食品營養與保健生技學系] 期刊論文

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