Articles with "deciphering mechanism" as a keyword



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Deciphering the mechanism of the nickel-catalyzed hydroalkoxylation reaction: A combined experimental and computational study

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Published in 2017 at "ACS Catalysis"

DOI: 10.1021/acscatal.7b00616

Abstract: ABSTRACT: The [Ni(COD)2]/P P-catalysed hydroalkoxylation of butadiene to form butenyl ethers is studied mechanistically, where P P = 1,4-bis(diphenylphosphino)butane (dppb) and 1,2-bis(diphenylphosphinomethyl)benzene (dppmb). Experimental studies suggest the intermediacy of [(P P)Ni(0)(butadiene)] and [(P P)Ni(II)(allyl)] intermediates… read more here.

Keywords: hydroalkoxylation; deciphering mechanism; hydroalkoxylation reaction; nickel catalyzed ... See more keywords
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Deciphering the mechanism of copper-catalyzed N-arylation between aryl halides and nitriles: a DFT study

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Published in 2019 at "New Journal of Chemistry"

DOI: 10.1039/c9nj03860d

Abstract: The mechanism of the CuI/DMEDA-catalyzed tandem hydrolysis/N-arylation of benzonitrile with aryl iodide was studied using the DFT method. read more here.

Keywords: mechanism copper; mechanism; arylation; deciphering mechanism ... See more keywords