Mechanism and origins of ligand-controlled Pd(ii)-catalyzed regiodivergent carbonylation of alkynes.
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DOI: 10.1039/c9dt03294k
Abstract: Transition-metal-catalyzed carbonylation provides a useful approach to synthesize carbonyl-containing compounds and their derivatives. Controlling the regio-, chemo-, and stereoselectivity remains a significant challenge and is the key to the success of transformation. In the present… read more here.
Keywords: mechanism origins; mechanism; regiodivergent carbonylation; origins ligand ... See more keywords
A DFT study on the mechanism and origins of the ligand-controlled regioselectivity of a palladium-catalyzed dearomatic reaction of 1-(chloromethyl)naphthalene with phenylacetonitrile
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DOI: 10.1039/c9nj05515k
Abstract: DFT calculations demonstrated that the bulky ligand tBuPPh2 generates para-substituted products, while the small ligand Me2PPh provides ortho-substituted products. read more here.
Keywords: mechanism origins; dft; origins ligand; study mechanism ... See more keywords
Understanding the mechanism and origins of stereoconvergence in nickel-catalyzed hydroarylation of 1,3-dienes with aryl boronates.
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DOI: 10.1039/d3dt00165b
Abstract: Nickel-catalyzed stereoselective hydroarylation is one of the most efficient methods to access functionalized arenes. Herein, computational studies have been applied to reveal the mechanism and origins of ligand-controlled enantioselectivity of Ni-catalyzed hydroarylation of 1,3-dienes using… read more here.
Keywords: hydroarylation; catalyzed hydroarylation; nickel catalyzed; hydroarylation dienes ... See more keywords