{"id":3457,"date":"2024-06-27T10:43:00","date_gmt":"2024-06-27T08:43:00","guid":{"rendered":"https:\/\/site.uit.no\/nordco2\/?p=3457"},"modified":"2024-10-11T13:07:11","modified_gmt":"2024-10-11T11:07:11","slug":"research-article-uit-10","status":"publish","type":"post","link":"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/","title":{"rendered":"Research Article: UiT"},"content":{"rendered":"\n<figure class=\"wp-block-image size-large is-resized\"><img decoding=\"async\" src=\"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/cms\/asset\/209e69ff-f659-4887-9279-f68b21255000\/chem202401631-toc-0001-m.jpg\" alt=\"Graphical Abstract\" style=\"width:433px;height:auto\" \/><\/figure>\n\n\n\n<p class=\"wp-block-paragraph\"><strong>Title:<\/strong><br><a href=\"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/chem.202401631\" data-type=\"link\" data-id=\"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/chem.202401631\">Revisiting the Mechanism of Asymmetric Ni-Catalyzed Reductive Carbo-Carboxylation with CO<sub>2<\/sub>: The Additives Affect the Product Selectivity<\/a><\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><strong>Abstract:<\/strong><br>The mechanistic details of the asymmetric Ni-catalyzed reductive cyclization\/carboxylation of alkenes with CO<sub>2<\/sub>&nbsp;have been revisited using DFT methods. Emphasis was put on the enantioselectivity and the mechanistic role of Lewis acid additives and&nbsp;<em>in\u2005situ<\/em>&nbsp;formed salts. Our results show that oxidative addition of the substrate is rate-limiting, with the formed Ni(II)-aryl intermediate preferring a triplet spin state. After reduction to Ni(I), enantioselective cyclization of the substrate occurs, followed by inner sphere carboxylation. Our proposed mechanism reproduces the experimentally observed enantiomeric excess and identifies critical C\u2212H\/O and C\u2212H\/N interactions that affect the selectivity. Further, our results highlight the beneficial effect of Lewis acids on CO<sub>2<\/sub>&nbsp;insertion and suggest that&nbsp;<em>in\u2005situ<\/em>&nbsp;formed salts influence if the 5<em>-exo<\/em>&nbsp;or 6<em>-endo<\/em>&nbsp;product will be formed.<\/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>Title:Revisiting the Mechanism of Asymmetric Ni-Catalyzed Reductive Carbo-Carboxylation with CO2: The Additives Affect the Product Selectivity Abstract:The mechanistic details of the asymmetric Ni-catalyzed reductive cyclization\/carboxylation &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-3457","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 - 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\/06\/27\/research-article-uit-10\/\" \/>\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=\"Title:Revisiting the Mechanism of Asymmetric Ni-Catalyzed Reductive Carbo-Carboxylation with CO2: The Additives Affect the Product Selectivity Abstract:The mechanistic details of the asymmetric Ni-catalyzed reductive cyclization\/carboxylation &hellip;\" \/>\n<meta property=\"og:url\" content=\"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/\" \/>\n<meta property=\"og:site_name\" content=\"Nordic Consortium for CO2 Conversion\" \/>\n<meta property=\"article:published_time\" content=\"2024-06-27T08:43:00+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2024-10-11T11:07:11+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/cms\/asset\/209e69ff-f659-4887-9279-f68b21255000\/chem202401631-toc-0001-m.jpg\" \/>\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\\\/06\\\/27\\\/research-article-uit-10\\\/#article\",\"isPartOf\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/06\\\/27\\\/research-article-uit-10\\\/\"},\"author\":{\"name\":\"joehh\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#\\\/schema\\\/person\\\/993cf3b27a956c23c8da21d29fe6bd7c\"},\"headline\":\"Research Article: UiT\",\"datePublished\":\"2024-06-27T08:43:00+00:00\",\"dateModified\":\"2024-10-11T11:07:11+00:00\",\"mainEntityOfPage\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/06\\\/27\\\/research-article-uit-10\\\/\"},\"wordCount\":178,\"publisher\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#organization\"},\"image\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/06\\\/27\\\/research-article-uit-10\\\/#primaryimage\"},\"thumbnailUrl\":\"https:\\\/\\\/chemistry-europe.onlinelibrary.wiley.com\\\/cms\\\/asset\\\/209e69ff-f659-4887-9279-f68b21255000\\\/chem202401631-toc-0001-m.jpg\",\"articleSection\":[\"Research\"],\"inLanguage\":\"en-GB\"},{\"@type\":\"WebPage\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/06\\\/27\\\/research-article-uit-10\\\/\",\"url\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/06\\\/27\\\/research-article-uit-10\\\/\",\"name\":\"Research Article: UiT - Nordic Consortium for CO2 Conversion\",\"isPartOf\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#website\"},\"primaryImageOfPage\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/06\\\/27\\\/research-article-uit-10\\\/#primaryimage\"},\"image\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/06\\\/27\\\/research-article-uit-10\\\/#primaryimage\"},\"thumbnailUrl\":\"https:\\\/\\\/chemistry-europe.onlinelibrary.wiley.com\\\/cms\\\/asset\\\/209e69ff-f659-4887-9279-f68b21255000\\\/chem202401631-toc-0001-m.jpg\",\"datePublished\":\"2024-06-27T08:43:00+00:00\",\"dateModified\":\"2024-10-11T11:07:11+00:00\",\"breadcrumb\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/06\\\/27\\\/research-article-uit-10\\\/#breadcrumb\"},\"inLanguage\":\"en-GB\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/06\\\/27\\\/research-article-uit-10\\\/\"]}]},{\"@type\":\"ImageObject\",\"inLanguage\":\"en-GB\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/06\\\/27\\\/research-article-uit-10\\\/#primaryimage\",\"url\":\"https:\\\/\\\/chemistry-europe.onlinelibrary.wiley.com\\\/cms\\\/asset\\\/209e69ff-f659-4887-9279-f68b21255000\\\/chem202401631-toc-0001-m.jpg\",\"contentUrl\":\"https:\\\/\\\/chemistry-europe.onlinelibrary.wiley.com\\\/cms\\\/asset\\\/209e69ff-f659-4887-9279-f68b21255000\\\/chem202401631-toc-0001-m.jpg\"},{\"@type\":\"BreadcrumbList\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2024\\\/06\\\/27\\\/research-article-uit-10\\\/#breadcrumb\",\"itemListElement\":[{\"@type\":\"ListItem\",\"position\":1,\"name\":\"Home\",\"item\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/\"},{\"@type\":\"ListItem\",\"position\":2,\"name\":\"Research Article: UiT\"}]},{\"@type\":\"WebSite\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#website\",\"url\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/\",\"name\":\"Nordic Consortium for CO2 Conversion\",\"description\":\"\",\"publisher\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#organization\"},\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/?s={search_term_string}\"},\"query-input\":{\"@type\":\"PropertyValueSpecification\",\"valueRequired\":true,\"valueName\":\"search_term_string\"}}],\"inLanguage\":\"en-GB\"},{\"@type\":\"Organization\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#organization\",\"name\":\"Nordic Consortium for CO2 Conversion\",\"url\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/\",\"logo\":{\"@type\":\"ImageObject\",\"inLanguage\":\"en-GB\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#\\\/schema\\\/logo\\\/image\\\/\",\"url\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/wp-content\\\/uploads\\\/sites\\\/344\\\/2018\\\/01\\\/cropped-logonewnordco2_2-2.png\",\"contentUrl\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/wp-content\\\/uploads\\\/sites\\\/344\\\/2018\\\/01\\\/cropped-logonewnordco2_2-2.png\",\"width\":174,\"height\":96,\"caption\":\"Nordic Consortium for CO2 Conversion\"},\"image\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#\\\/schema\\\/logo\\\/image\\\/\"}},{\"@type\":\"Person\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#\\\/schema\\\/person\\\/993cf3b27a956c23c8da21d29fe6bd7c\",\"name\":\"joehh\",\"image\":{\"@type\":\"ImageObject\",\"inLanguage\":\"en-GB\",\"@id\":\"https:\\\/\\\/secure.gravatar.com\\\/avatar\\\/41b39828da26f7150fc97cb70bc12710fe106a864e4f01c116292a086677dd77?s=96&d=blank&r=g\",\"url\":\"https:\\\/\\\/secure.gravatar.com\\\/avatar\\\/41b39828da26f7150fc97cb70bc12710fe106a864e4f01c116292a086677dd77?s=96&d=blank&r=g\",\"contentUrl\":\"https:\\\/\\\/secure.gravatar.com\\\/avatar\\\/41b39828da26f7150fc97cb70bc12710fe106a864e4f01c116292a086677dd77?s=96&d=blank&r=g\",\"caption\":\"joehh\"},\"url\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/author\\\/joehh\\\/\"}]}<\/script>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"Research Article: UiT - Nordic Consortium for CO2 Conversion","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/","og_locale":"en_GB","og_type":"article","og_title":"Research Article: UiT - Nordic Consortium for CO2 Conversion","og_description":"Title:Revisiting the Mechanism of Asymmetric Ni-Catalyzed Reductive Carbo-Carboxylation with CO2: The Additives Affect the Product Selectivity Abstract:The mechanistic details of the asymmetric Ni-catalyzed reductive cyclization\/carboxylation &hellip;","og_url":"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/","og_site_name":"Nordic Consortium for CO2 Conversion","article_published_time":"2024-06-27T08:43:00+00:00","article_modified_time":"2024-10-11T11:07:11+00:00","og_image":[{"url":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/cms\/asset\/209e69ff-f659-4887-9279-f68b21255000\/chem202401631-toc-0001-m.jpg","type":"","width":"","height":""}],"author":"joehh","twitter_card":"summary_large_image","twitter_misc":{"Written by":"joehh","Est. reading time":"1 minute"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"Article","@id":"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/#article","isPartOf":{"@id":"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/"},"author":{"name":"joehh","@id":"https:\/\/site.uit.no\/nordco2\/#\/schema\/person\/993cf3b27a956c23c8da21d29fe6bd7c"},"headline":"Research Article: UiT","datePublished":"2024-06-27T08:43:00+00:00","dateModified":"2024-10-11T11:07:11+00:00","mainEntityOfPage":{"@id":"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/"},"wordCount":178,"publisher":{"@id":"https:\/\/site.uit.no\/nordco2\/#organization"},"image":{"@id":"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/#primaryimage"},"thumbnailUrl":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/cms\/asset\/209e69ff-f659-4887-9279-f68b21255000\/chem202401631-toc-0001-m.jpg","articleSection":["Research"],"inLanguage":"en-GB"},{"@type":"WebPage","@id":"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/","url":"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/","name":"Research Article: UiT - Nordic Consortium for CO2 Conversion","isPartOf":{"@id":"https:\/\/site.uit.no\/nordco2\/#website"},"primaryImageOfPage":{"@id":"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/#primaryimage"},"image":{"@id":"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/#primaryimage"},"thumbnailUrl":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/cms\/asset\/209e69ff-f659-4887-9279-f68b21255000\/chem202401631-toc-0001-m.jpg","datePublished":"2024-06-27T08:43:00+00:00","dateModified":"2024-10-11T11:07:11+00:00","breadcrumb":{"@id":"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/#breadcrumb"},"inLanguage":"en-GB","potentialAction":[{"@type":"ReadAction","target":["https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/"]}]},{"@type":"ImageObject","inLanguage":"en-GB","@id":"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/#primaryimage","url":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/cms\/asset\/209e69ff-f659-4887-9279-f68b21255000\/chem202401631-toc-0001-m.jpg","contentUrl":"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/cms\/asset\/209e69ff-f659-4887-9279-f68b21255000\/chem202401631-toc-0001-m.jpg"},{"@type":"BreadcrumbList","@id":"https:\/\/site.uit.no\/nordco2\/2024\/06\/27\/research-article-uit-10\/#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"Home","item":"https:\/\/site.uit.no\/nordco2\/"},{"@type":"ListItem","position":2,"name":"Research Article: UiT"}]},{"@type":"WebSite","@id":"https:\/\/site.uit.no\/nordco2\/#website","url":"https:\/\/site.uit.no\/nordco2\/","name":"Nordic Consortium for CO2 Conversion","description":"","publisher":{"@id":"https:\/\/site.uit.no\/nordco2\/#organization"},"potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"https:\/\/site.uit.no\/nordco2\/?s={search_term_string}"},"query-input":{"@type":"PropertyValueSpecification","valueRequired":true,"valueName":"search_term_string"}}],"inLanguage":"en-GB"},{"@type":"Organization","@id":"https:\/\/site.uit.no\/nordco2\/#organization","name":"Nordic Consortium for CO2 Conversion","url":"https:\/\/site.uit.no\/nordco2\/","logo":{"@type":"ImageObject","inLanguage":"en-GB","@id":"https:\/\/site.uit.no\/nordco2\/#\/schema\/logo\/image\/","url":"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2018\/01\/cropped-logonewnordco2_2-2.png","contentUrl":"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2018\/01\/cropped-logonewnordco2_2-2.png","width":174,"height":96,"caption":"Nordic Consortium for CO2 Conversion"},"image":{"@id":"https:\/\/site.uit.no\/nordco2\/#\/schema\/logo\/image\/"}},{"@type":"Person","@id":"https:\/\/site.uit.no\/nordco2\/#\/schema\/person\/993cf3b27a956c23c8da21d29fe6bd7c","name":"joehh","image":{"@type":"ImageObject","inLanguage":"en-GB","@id":"https:\/\/secure.gravatar.com\/avatar\/41b39828da26f7150fc97cb70bc12710fe106a864e4f01c116292a086677dd77?s=96&d=blank&r=g","url":"https:\/\/secure.gravatar.com\/avatar\/41b39828da26f7150fc97cb70bc12710fe106a864e4f01c116292a086677dd77?s=96&d=blank&r=g","contentUrl":"https:\/\/secure.gravatar.com\/avatar\/41b39828da26f7150fc97cb70bc12710fe106a864e4f01c116292a086677dd77?s=96&d=blank&r=g","caption":"joehh"},"url":"https:\/\/site.uit.no\/nordco2\/author\/joehh\/"}]}},"_links":{"self":[{"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/posts\/3457","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=3457"}],"version-history":[{"count":2,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/posts\/3457\/revisions"}],"predecessor-version":[{"id":3522,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/posts\/3457\/revisions\/3522"}],"wp:attachment":[{"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/media?parent=3457"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/categories?post=3457"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/tags?post=3457"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}