{"id":2988,"date":"2023-10-12T13:34:00","date_gmt":"2023-10-12T11:34:00","guid":{"rendered":"https:\/\/site.uit.no\/nordco2\/?p=2988"},"modified":"2024-10-11T12:19:44","modified_gmt":"2024-10-11T10:19:44","slug":"research-article-uit-6","status":"publish","type":"post","link":"https:\/\/site.uit.no\/nordco2\/2023\/10\/12\/research-article-uit-6\/","title":{"rendered":"Research Article: UiT"},"content":{"rendered":"\n<figure class=\"wp-block-image size-large\"><img decoding=\"async\" src=\"https:\/\/pubs.acs.org\/cms\/10.1021\/acs.organomet.3c00342\/asset\/images\/medium\/om3c00342_0013.gif\" alt=\"graphical abstract\" \/><\/figure>\n\n\n\n<p class=\"wp-block-paragraph\"><strong>Title:<\/strong><br><a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.organomet.3c00342\" data-type=\"URL\" data-id=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.organomet.3c00342\">Understanding the Influence of Lewis Acids on CO<sub>2<\/sub>\u00a0Hydrogenation: The Critical Effect Is on Formate Rotation<\/a><\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><strong>Abstract:<\/strong><br>Lewis acids (LAs) have been shown to accelerate hydrogenation of CO<sub>2<\/sub>, but the underlying mechanistic details remain to be elucidated. We have employed computational methods to investigate how LAs affect CO<sub>2<\/sub>\u00a0hydrogenation with a range of known metal-hydrides (L<sub>n<\/sub>Ir\u2013H, L<sub>n<\/sub>Ru\u2013H, L<sub>n<\/sub>Mn\u2013H, L<sub>n<\/sub>Co\u2013H). Our results show that LAs can alter the nature of the hydride\u2013CO<sub>2<\/sub>\u00a0bond formation step, but do not lower its barrier. Instead, the accelerating effect of LAs is on the subsequent step, the rearrangement of the metal-formate \u03c3-intermediate. These insights are essential for understanding the effect of LA additives on metal-mediated hydrogenations of CO<sub>2<\/sub>.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">Find a list of publications by\u00a0NordCO<sub>2<\/sub>\u00a0members on our\u00a0<a href=\"https:\/\/site.uit.no\/nordco2\/publications\/\">Publications<\/a>\u00a0page\u00a0\ud83d\ude42<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Title:Understanding the Influence of Lewis Acids on CO2\u00a0Hydrogenation: The Critical Effect Is on Formate Rotation Abstract:Lewis acids (LAs) have been shown to accelerate hydrogenation of &hellip;<\/p>\n","protected":false},"author":514,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"image","meta":{"ngg_post_thumbnail":0,"footnotes":""},"categories":[8],"tags":[],"class_list":["post-2988","post","type-post","status-publish","format-image","hentry","category-research","post_format-post-format-image"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v28.8 - 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