89883 20230914083231.0 doi 10.1039/c8gc02794c sideral 108925 ART-2018-108925 eng Iturmendi, Amaia A highly efficient Ir-catalyst for the solventless dehydrogenation of formic acid: the key role of an N-heterocyclic olefin 2018 Access copy available to the general public Unrestricted The use of formic acid as a hydrogen energy carrier has sparked the interest of the scientific community in the development of catalysts that promote its selective dehydrogenation. Most of the catalysts so far reported require the use of solvents that reduce the hydrogen density of the mixture and may even damage the fuel cell electrode materials. We present here a sturdy iridium catalyst that features a PCP ligand based on an N-heterocyclic olefin (NHO) scaffold, which is remarkably active for the dehydrogenation of neat formic acid. Related complexes that present bis-phosphine ligands without an NHO donor moiety give rise to noticeably lower activities. This highlights the importance of the role played by the NHO in the activity of the catalyst. Moreover, by reacting the IrPCP(NHO) catalyst with an excess of HCOOH and pyridine we were able to isolate a plausible reaction intermediate. These postulations have been substantiated by DFT calculations. info:eu-repo/grantAgreement/ES/DGA-FSE/E42-17R info:eu-repo/grantAgreement/ES/MECD/FPU14-06003 info:eu-repo/grantAgreement/ES/MICINN-FEDER/CTQ2016-75884-P info:eu-repo/grantAgreement/ES/MICINN/RYC-2016-20864 info:eu-repo/semantics/openAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 9.405 2018 GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY 2 / 35 = 0.057 2018 Q1 T1 CHEMISTRY, MULTIDISCIPLINARY 20 / 172 = 0.116 2018 Q1 T1 2.517 2018 Pollution 2018 Q1 Environmental Chemistry 2018 Q1 info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Iglesias, Manuel Universidad de Zaragoza (orcid)0000-0003-3144-5320 Munarriz, Julen Universidad de Zaragoza (orcid)0000-0001-6089-6126 Polo, Víctor Universidad de Zaragoza (orcid)0000-0001-5823-7965 Passarelli, Vicenzo (orcid)0000-0002-1735-6439 Perez-Torrente, Jesús J. Universidad de Zaragoza (orcid)0000-0002-3327-0918 Oro, Luis A. Universidad de Zaragoza (orcid)0000-0001-7154-7239 2010 760 Universidad de Zaragoza Dpto. Química Inorgánica Área Química Inorgánica 2012 755 Universidad de Zaragoza Dpto. Química Física Área Química Física 20, 21 (2018), 4875-4879 Green chem. GREEN CHEMISTRY 1463-9262 501500 http://zaguan.unizar.es/record/89883/files/texto_completo.pdf Postprint 589750 http://zaguan.unizar.es/record/89883/files/texto_completo.jpg?subformat=icon icon Postprint oai:zaguan.unizar.es:89883 articulos driver 2023-09-13-10:44:28 ARTICLE