首次测定氮杂己二烯酰基自由基的闭环反应速率常数：6-氮杂-7-乙基-5-己烯酰。
First determination of the rate constant for ring-closure of an azahexenoyl radical: 6-aza-7-ethyl-5-hexenoyl.
机构信息
ARC Centre of Excellence for Free Radical Chemistry and Biotechnology, Australia.
出版信息
Chem Commun (Camb). 2010 Sep 21;46(35):6521-3. doi: 10.1039/c0cc01262a. Epub 2010 Aug 10.
PMID:20714539
Abstract
Competitive kinetic experiments utilising free radical carbonylation chemistry provide a first estimate for the rate constant for 6-endo cyclization of the 6-aza-7-ethyl-5-hexenoyl radical of (4.8 +/- 2.4) x 10(6) s(-1) at 90 degrees C in benzene, in good agreement with ONIOM-G3(MP2)-CC+COSMO-RS calculations (6.8 x 10(6) s(-1)).
摘要
利用自由基羰基化反应进行竞争动力学实验，首次估算了（4.8±2.4）×10^6 s^-1 条件下，6-氮杂-7-乙基-5-己烯酰基自由基在苯中 6-endo 环化的速率常数，该结果与 ONIOM-G3(MP2)-CC+COSMO-RS 计算值（6.8×10^6 s^-1）吻合较好。
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