4.7 Article

A computational study of the mechanism of the [(salen)Cr + DMAP]-catalyzed formation of cyclic carbonates from CO2 and epoxide

期刊

CHEMICAL COMMUNICATIONS
卷 50, 期 20, 页码 2676-2678

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ROYAL SOC CHEMISTRY
DOI: 10.1039/c3cc48769e

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资金

  1. National Research Foundation of Korea [R31-2012-000-10035-0]
  2. Northwestern University
  3. National Research Foundation of Korea [R31-2012-000-10035-0] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)

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Epoxide and CO2 coupling reactions catalyzed by (salen)(CrCl)-Cl-III have been modeled computationally to contrast a monometallic vs. a bimetallic mechanism. A low-energy CO2 insertion step into the metal-alkoxide bond was located.

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