130306 20240124152850.0 doi 10.1039/c8cy02353k sideral 112665 ART-2019-112665 eng Guzman, Jefferson Universidad de Zaragoza (orcid)0000-0001-9340-5952 Ir-catalyzed selective reduction of CO2 to the methoxy or formate level with HSiMe(OSiMe3)2 2019 The iridium.III) complex [Ir.CF3CO2).. 2-NSi) 2] (3) (NSi = (4-methylpyridine-2-yloxy) dimethylsilyl) has been proven to be an effective catalyst for the reduction of CO2 with HSiMe.OSiMe3) 2 under mild reaction conditions. 1H NMR studies of the 3-catalyzed reactions of CO2 with HSiMe.OSiMe3) 2 in C6D6 at 298 K evidenced that the selectivity of these reduction processes depends on the pressure of CO2. Thus, using CO2 (4 bar), the corresponding silyl formate was selectively obtained, while when the pressure of CO2 was reduced to 1 bar, the methoxysilane CH3OSiMe.OSiMe3) 2 was selectively formed. A mechanism proposal based on NMR experiments and theoretical calculations at the DFT level shows that the concentration of CO2 influences the selectivity of the overall catalytic process. Access copy available to the general public Unrestricted info:eu-repo/grantAgreement/ES/DGA-FSE/E07 info:eu-repo/grantAgreement/ES/MINECO/CTQ2015-67366-P info:eu-repo/semantics/openAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 5.721 2019 CHEMISTRY, PHYSICAL 41 / 159 = 0.258 2019 Q2 T1 1.579 2019 Catalysis 2019 Q1 info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Garcia-Orduna, Pilar Universidad de Zaragoza (orcid)0000-0002-7063-1292 Polo, Víctor Universidad de Zaragoza (orcid)0000-0001-5823-7965 Lahoz, Fernand J. Universidad de Zaragoza (orcid)0000-0001-8054-2237 Oro, Luis A. Universidad de Zaragoza (orcid)0000-0001-7154-7239 Fernandez-Alvarez, Francisco J. Universidad de Zaragoza (orcid)0000-0002-0497-1969 2010 760 Universidad de Zaragoza Dpto. Química Inorgánica Área Química Inorgánica 2012 755 Universidad de Zaragoza Dpto. Química Física Área Química Física 9, 11 (2019), 2858-2867 CATALYSIS SCIENCE & TECHNOLOGY Catalysis Science and Technology 2044-4753 876575 http://zaguan.unizar.es/record/130306/files/texto_completo.pdf Postprint 2629560 http://zaguan.unizar.es/record/130306/files/texto_completo.jpg?subformat=icon icon Postprint oai:zaguan.unizar.es:130306 articulos driver 2024-01-24-15:01:31 ARTICLE