控制自由基接力级联中氢原子转移和自由基加成步骤反应性的因素。
Factors Controlling Reactivity in the Hydrogen Atom Transfer and Radical Addition Steps of a Radical Relay Cascade.
机构信息
Department of Chemistry and Biochemistry , University of California , Los Angeles , California 90095-1569 , United States.
Department of Chemistry , University of Pennsylvania , 231 South 34th Street , Philadelphia , Pennsylvania 19104 , United States.
出版信息
Org Lett. 2019 Aug 2;21(15):5894-5897. doi: 10.1021/acs.orglett.9b02023. Epub 2019 Jul 15.
DFT exploration of 1,5- and 1,6-hydrogen atom transfers (HAT), radical addition, and relay to alkene is reported. The reactivity of 1,5- and 1,6-HAT are similar. We also explored reactions involving a multiple radical transferring process. Initially generated radicals undergo a multiple HAT process to form multiple bonds in a "relay" fashion, provided by exquisitely balanced rates.
本文报道了 1,5-和 1,6-氢原子转移（HAT）、自由基加成和向烯烃的接力的密度泛函理论（DFT）研究。1,5-和 1,6-HAT 的反应性相似。我们还探索了涉及多次自由基转移过程的反应。最初生成的自由基经历多次 HAT 过程，以“接力”方式形成多重键，这是由精确平衡的速率提供的。
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