dc.date.accessioned | 2020-01-06T21:07:28Z | |
dc.date.available | 2020-01-06T21:07:28Z | |
dc.date.created | 2018-11-01T10:27:57Z | |
dc.date.issued | 2018 | |
dc.identifier.citation | Correa, Andrea Cascella, Michele Scotti, Nicola Zaccheria, Federica Ravasio, Nicoletta Psaro, Rinaldo . Mechanistic insights into formic acid dehydrogenation promoted by Cu-amino based systems. Inorganica Chimica Acta. 2018, 470, 290-294 | |
dc.identifier.uri | http://hdl.handle.net/10852/71927 | |
dc.description.abstract | A computational study on the molecular mechanism of formic acid dehydrogenation in the presence of Cu-amine complex has been carried out in order to shed light on the role of the amine in determining the catalyst activity. The migration of H from the formate ligand to the metal center has been investigated in detail due to its endothermic nature. The relevance of both basicity and steric hindrance of the amine, as well as its binding ability to the metal center, in promoting hydrogen evolution has been confirmed. | |
dc.language | EN | |
dc.title | Mechanistic insights into formic acid dehydrogenation promoted by Cu-amino based systems | |
dc.type | Journal article | |
dc.creator.author | Correa, Andrea | |
dc.creator.author | Cascella, Michele | |
dc.creator.author | Scotti, Nicola | |
dc.creator.author | Zaccheria, Federica | |
dc.creator.author | Ravasio, Nicoletta | |
dc.creator.author | Psaro, Rinaldo | |
cristin.unitcode | 185,15,12,59 | |
cristin.unitname | Teoretisk kjemi | |
cristin.ispublished | true | |
cristin.fulltext | preprint | |
cristin.qualitycode | 1 | |
dc.identifier.cristin | 1625837 | |
dc.identifier.bibliographiccitation | info:ofi/fmt:kev:mtx:ctx&ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Inorganica Chimica Acta&rft.volume=470&rft.spage=290&rft.date=2018 | |
dc.identifier.jtitle | Inorganica Chimica Acta | |
dc.identifier.volume | 470 | |
dc.identifier.startpage | 290 | |
dc.identifier.endpage | 294 | |
dc.identifier.doi | https://doi.org/10.1016/j.ica.2017.06.043 | |
dc.identifier.urn | URN:NBN:no-75018 | |
dc.type.document | Tidsskriftartikkel | |
dc.source.issn | 0020-1693 | |
dc.identifier.fulltext | Fulltext https://www.duo.uio.no/bitstream/handle/10852/71927/1/RAVASIO.CORREA.ICA-Mealli.pdf | |
dc.type.version | SubmittedVersion | |
dc.relation.project | NFR/262695 | |
dc.relation.project | NOTUR/NORSTORE/NN4654K | |