{"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 class=\"wp-block-paragraph\"><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 class=\"wp-block-paragraph\"><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 class=\"wp-block-paragraph\">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"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v28.8 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Research Article: UiT - Nordic Consortium for CO2 Conversion<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/site.uit.no\/nordco2\/2024\/08\/07\/research-article-uit-9\/\" \/>\n<meta property=\"og:locale\" content=\"en_GB\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Research Article: UiT - Nordic Consortium for CO2 Conversion\" \/>\n<meta property=\"og:description\" content=\"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.\" \/>\n<meta property=\"og:url\" content=\"https:\/\/site.uit.no\/nordco2\/2024\/08\/07\/research-article-uit-9\/\" \/>\n<meta property=\"og:site_name\" content=\"Nordic Consortium for CO2 Conversion\" \/>\n<meta property=\"article:published_time\" content=\"2024-08-07T08:40:00+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2024-11-20T10:10:43+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2024\/08\/images_large_om4c00177_0010.jpeg\" \/>\n\t<meta property=\"og:image:width\" content=\"965\" \/>\n\t<meta property=\"og:image:height\" content=\"558\" \/>\n\t<meta property=\"og:image:type\" content=\"image\/jpeg\" \/>\n<meta name=\"author\" content=\"joehh\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"joehh\" \/>\n\t<meta name=\"twitter:label2\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"1 minute\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\\\/\\\/schema.org\",\"@graph\":[{\"@type\":\"Article\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/08\\\/07\\\/research-article-uit-9\\\/#article\",\"isPartOf\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/08\\\/07\\\/research-article-uit-9\\\/\"},\"author\":{\"name\":\"joehh\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#\\\/schema\\\/person\\\/993cf3b27a956c23c8da21d29fe6bd7c\"},\"headline\":\"Research Article: UiT\",\"datePublished\":\"2024-08-07T08:40:00+00:00\",\"dateModified\":\"2024-11-20T10:10:43+00:00\",\"mainEntityOfPage\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/08\\\/07\\\/research-article-uit-9\\\/\"},\"wordCount\":116,\"publisher\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#organization\"},\"image\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/08\\\/07\\\/research-article-uit-9\\\/#primaryimage\"},\"thumbnailUrl\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/wp-content\\\/uploads\\\/sites\\\/344\\\/2024\\\/08\\\/images_large_om4c00177_0010.jpeg\",\"articleSection\":[\"Research\"],\"inLanguage\":\"en-GB\"},{\"@type\":\"WebPage\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/08\\\/07\\\/research-article-uit-9\\\/\",\"url\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/08\\\/07\\\/research-article-uit-9\\\/\",\"name\":\"Research Article: UiT - 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