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|Title:||NHC-Ag/Pd-Catalyzed Reductive Carboxylation of Terminal Alkynes with CO2 and H2: A Combined Experimental and Computational Study for Fine-Tuned Selectivity||Authors:||Yu, Dingyi
Lim, Diane S. W.
|Issue Date:||2017||Source:||Yu, D., Zhou, F., Lim, D. S. W., Su, H., & Zhang, Y. (2017). NHC-Ag/Pd-Catalyzed Reductive Carboxylation of Terminal Alkynes with CO2 and H2: A Combined Experimental and Computational Study for Fine-Tuned Selectivity. ChemSusChem, 10(5), 836-841.||Series/Report no.:||ChemSusChem||Abstract:||Reductive carboxylation of terminal alkynes utilizing CO2 and H2 as reactants is an interesting and challenging transformation. Theoretical calculations indicated it would be kinetically possible to obtain cinnamic acid, the reductive carboxylation product, from phenylacetylene in a CO2/H2 system with an N-heterocyclic carbene (NHC)-supported Ag/Pd bimetallic catalysts through competitive carboxylation/hydrogenation cascade reactions in one step. These calculations were verified experimentally with a poly-NHC-supported Ag/Pd catalyst. By tuning the catalyst composition and reaction temperature, phenylacetylene was selectively converted to cinnamic acid, hydrocinnamic acid, or phenylpropiolic acid in excellent yields.||URI:||https://hdl.handle.net/10356/83473
|ISSN:||1864-5631||DOI:||10.1002/cssc.201601785||Schools:||School of Materials Science & Engineering||Rights:||© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. This is the author created version of a work that has been peer reviewed and accepted for publication by ChemSusChem, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [http://dx.doi.org/10.1002/cssc.201601785].||Fulltext Permission:||open||Fulltext Availability:||With Fulltext|
|Appears in Collections:||MSE Journal Articles|
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