{"id":3454,"date":"2024-08-07T10:40:00","date_gmt":"2024-08-07T08:40:00","guid":{"rendered":"https:\/\/site.uit.no\/nordco2\/?p=3454"},"modified":"2024-11-20T11:10:43","modified_gmt":"2024-11-20T10:10:43","slug":"research-article-uit-9","status":"publish","type":"post","link":"https:\/\/site.uit.no\/nordco2\/2024\/08\/07\/research-article-uit-9\/","title":{"rendered":"Research Article: UiT"},"content":{"rendered":"\n<p><strong>Title:<\/strong><br><a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.organomet.4c00177\" data-type=\"link\" data-id=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.organomet.4c00177\">Computational Study of the Ir-Catalyzed Formation of Allyl Carbamates from CO<sub>2<\/sub><\/a><\/p>\n\n\n\n<p><strong>Abstract:<\/strong><br>We have employed computational methods to investigate the iridium-catalyzed allylic substitution leading to the formation of enantioenriched allyl carbamates from carbon dioxide (CO<sub>2<\/sub>). The reaction occurs in several steps, with initial formation of an iridium-allyl, followed by nucleophilic attack by the carbamate formed in situ from CO<sub>2<\/sub>&nbsp;and an amine. A detailed isomeric analysis shows that the rate-determining step differs for the (<em>R<\/em>)- and (<em>S<\/em>)-pathways. These insights are essential for understanding reactions involving enantioselective formation of allyl carbamates from CO<sub>2<\/sub>.<\/p>\n\n\n\n<p>Find a list of publications by&nbsp;NordCO<sub>2<\/sub>&nbsp;members on our&nbsp;<a href=\"https:\/\/site.uit.no\/nordco2\/publications\/\">Publications<\/a>&nbsp;page&nbsp;\ud83d\ude42<\/p>\n","protected":false},"excerpt":{"rendered":"<p>We have employed computational methods to investigate the iridium-catalyzed allylic substitution leading to the formation of enantioenriched allyl carbamates from carbon dioxide (CO2). The reaction occurs in several steps, with initial formation of an iridium-allyl, followed by nucleophilic attack by the carbamate formed in situ from CO2\u00a0and an amine. A detailed isomeric analysis shows that the rate-determining step differs for the (R)- and (S)-pathways. These insights are essential for understanding reactions involving enantioselective formation of allyl carbamates from CO2.<\/p>\n","protected":false},"author":514,"featured_media":3603,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"image","meta":{"ngg_post_thumbnail":0,"footnotes":""},"categories":[8],"tags":[],"class_list":["post-3454","post","type-post","status-publish","format-image","has-post-thumbnail","hentry","category-research","post_format-post-format-image"],"_links":{"self":[{"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/posts\/3454","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/users\/514"}],"replies":[{"embeddable":true,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/comments?post=3454"}],"version-history":[{"count":3,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/posts\/3454\/revisions"}],"predecessor-version":[{"id":3604,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/posts\/3454\/revisions\/3604"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/media\/3603"}],"wp:attachment":[{"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/media?parent=3454"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/categories?post=3454"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/tags?post=3454"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}