10.3390\/catal15070641<\/a><\/p>\nAuthors:<\/h4>\n
Gilberto Rocha\u2010Ortiz, Anah\u00ed Barrios-Velasco, Omar Monsalvo Z\u00fa\u00f1iga, Marisela Cruz-Ram\u00edrez, \u00c1ngel Mendoza, Lillian G. Ram\u00edrez\u2010Palma, Juan Pablo F. Rebolledo\u2010Ch\u00e1vez, Lu\u00eds Ortiz-Frade<\/p>\n
Abstract:<\/h4>\n
This work explores the effect of geometry and the presence of a site available for carbon dioxide coordination in molecular catalysis of CO2 reduction for cobalt complexes using electrochemical and spectroelectrochemical studies. The octahedral complexes [CoII(bztpen)Br]PF6 and [CoII(bpy)3](BF4)2, along with the trigonal bipyramidal complex [CoII(TPA)Cl]Cl, were selected for this study (where bztepen = N-benzyl-N,N\u2032,N\u2032-tris-(pyridine-2-ylmethyl)-ethylenediamine), TPA = tris (2-pyridimethyl)-amine, and bpy = 2\u2032-2\u2032- pyridine). DFT calculations were performed to predict the geometries of the complexes and to propose the sites at which electron transfer occurs. Among the studied compounds, [CoII(bpy)3(BF4)2] exhibited the highest catalytic rate constant for CO2 reduction (k = 1.22 \u00d7 102 M\u22121\u00b7s\u22121) compared to [CoII(bztpen)Br]PF6 (k = 8.93 \u00d7 101 M\u22121\u00b7s\u22121). The trigonal bipyramidal complex [CoII(TPA)Cl]Cl presented the lowest catalytic rate constant for CO2 reduction (k = 1.47 \u00d7 101 M\u22121\u00b7s\u22121). UV-Vis spectroelectrochemical studies and DFT calculations suggested the formation of [CoI(bztpen)(CO)]+ and [CoI(tpa)(CO)]+ species, which are associated with catalyst deactivation and may account for the lower performance of CO2 reduction.<\/p>\n","protected":false},"excerpt":{"rendered":"
DOI: 10.3390\/catal15070641 Authors: Gilberto Rocha\u2010Ortiz, Anah\u00ed Barrios-Velasco, Omar Monsalvo Z\u00fa\u00f1iga, Marisela Cruz-Ram\u00edrez, \u00c1ngel Mendoza, Lillian G. Ram\u00edrez\u2010Palma, Juan Pablo F. Rebolledo\u2010Ch\u00e1vez, Lu\u00eds Ortiz-Frade Abstract: This work explores the effect of geometry and the presence of a site available for carbon dioxide coordination in molecular catalysis of CO2 reduction for cobalt complexes using electrochemical and spectroelectrochemical […]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[9],"tags":[],"class_list":["post-330","post","type-post","status-publish","format-standard","hentry","category-its-e"],"_links":{"self":[{"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=\/wp\/v2\/posts\/330","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=330"}],"version-history":[{"count":0,"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=\/wp\/v2\/posts\/330\/revisions"}],"wp:attachment":[{"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=330"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=330"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/citations.tools.bio-logic.fr\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=330"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}