期刊
CHEMICAL COMMUNICATIONS
卷 50, 期 44, 页码 5919-5922出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c4cc01337a
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资金
- DST, India [SR/FT/CS-118/2011]
- CSIR, India
PAB formation through dehydropolymerization of ammonia-borane by Brookhart's iridium pincer catalyst has been under intense scrutiny but a sound molecular level understanding has remained elusive. Herein, using DFT the mechanism outlined by us for IrH2POCOP catalyzed PAB formation underscores the importance of generation of nucleophiles, in particular that of the metal bound NH2BH2 moiety armed with a nitrogen lone pair for chain initiation and chain propagation steps.
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