{"id":2166,"date":"2021-10-01T09:27:49","date_gmt":"2021-10-01T07:27:49","guid":{"rendered":"https:\/\/site.uit.no\/nordco2\/?p=2166"},"modified":"2024-10-11T12:21:13","modified_gmt":"2024-10-11T10:21:13","slug":"new-research-article-from-kth-sweden-2","status":"publish","type":"post","link":"https:\/\/site.uit.no\/nordco2\/2021\/10\/01\/new-research-article-from-kth-sweden-2\/","title":{"rendered":"New research article from KTH, Sweden"},"content":{"rendered":"<p>NordCO<sub>2<\/sub>\u00a0PI M\u00e5rten S. G. Ahlquist and collaborators have explored the mechanism behind the photo carboxylation of\u00a0<span style=\"text-indent: 0em\">C(<\/span><em style=\"text-indent: 0em\">sp<sup>3<\/sup><\/em><span style=\"text-indent: 0em\">)-H bonds in benzylic substrates using DFT calculations. To use their own words, &#8220;<em>The present study sheds light on the detailed functions of the photo-catalyst and transition-metal catalyst in the carboxylation reactions, and the interactions might be possibly generalized to other photoredox systems with co-catalysts<\/em>&#8220;. Congratulations to all authors!<\/span><\/p>\n<p><img fetchpriority=\"high\" decoding=\"async\" class=\"aligncenter wp-image-2167\" src=\"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2021\/10\/Article_october2021.jpg\" alt=\"\" width=\"600\" height=\"229\" srcset=\"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2021\/10\/Article_october2021.jpg 1333w, https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2021\/10\/Article_october2021-300x114.jpg 300w, https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2021\/10\/Article_october2021-768x293.jpg 768w, https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2021\/10\/Article_october2021-1024x390.jpg 1024w, https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2021\/10\/Article_october2021-918x350.jpg 918w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p><strong>Title:<\/strong><br \/>\n<span class=\"title-text\">Mechanistic study on the photo carboxylation of benzylic C-H bonds by xanthone and Ni(0) catalysts<\/span><\/p>\n<p class=\"section-title u-h3 u-margin-l-top u-margin-xs-bottom\"><strong>Abstract:<br \/>\n<\/strong><span style=\"text-indent: 0em\">The photo carboxylation of the benzylic C(<\/span><em style=\"text-indent: 0em\">sp<sup>3<\/sup><\/em><span style=\"text-indent: 0em\">)-H bond catalyzed by xanthone\/nickel were examined by density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. This study corroborates the previous proposal that light promotes the H-transfer from benzylic C(<\/span><em style=\"text-indent: 0em\">sp<sup>3<\/sup><\/em><span style=\"text-indent: 0em\">)-H bond of the\u00a0<\/span><em style=\"text-indent: 0em\">p<\/em><span style=\"text-indent: 0em\">-methoxytoluene to excited state of photocatalyst xanthone. Meanwhile, Ni(0) catalyst could mediate the H-transfer to occur via an electron-coupled-proton transfer manner, and then remarkably facilitates the carboxylation step (compared to the Ni-absent systems). After that, the generated Ni(I) intermediate and ketyl radical anion complete the carboxylation and electron transfer processes independently.<\/span><\/p>\n<p style=\"text-align: center\">Read at:<a href=\"https:\/\/www.sciencedirect.com\/science\/article\/pii\/S2468823121004028?via%3Dihub\"><img decoding=\"async\" class=\"aligncenter wp-image-2168\" src=\"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2021\/10\/science-direct-e1633073143361.jpg\" alt=\"\" width=\"300\" height=\"73\" srcset=\"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2021\/10\/science-direct-e1633073143361.jpg 769w, https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2021\/10\/science-direct-e1633073143361-300x73.jpg 300w, https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2021\/10\/science-direct-e1633073143361-768x188.jpg 768w\" sizes=\"(max-width: 300px) 100vw, 300px\" \/><\/a><\/p>\n<p style=\"text-align: left\">You can find a list of publications by NordCO<sub>2<\/sub>\u00a0on our\u00a0<a href=\"https:\/\/site.uit.no\/nordco2\/publications\/\">Publications<\/a>\u00a0page.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>NordCO2\u00a0PI M\u00e5rten S. G. Ahlquist and collaborators have explored the mechanism behind the photo carboxylation of\u00a0C(sp3)-H bonds in benzylic substrates using DFT calculations. To use &hellip;<\/p>\n","protected":false},"author":514,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"ngg_post_thumbnail":0,"footnotes":""},"categories":[8],"tags":[],"class_list":["post-2166","post","type-post","status-publish","format-standard","hentry","category-research"],"_links":{"self":[{"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/posts\/2166","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=2166"}],"version-history":[{"count":1,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/posts\/2166\/revisions"}],"predecessor-version":[{"id":2169,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/posts\/2166\/revisions\/2169"}],"wp:attachment":[{"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/media?parent=2166"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/categories?post=2166"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/site.uit.no\/nordco2\/wp-json\/wp\/v2\/tags?post=2166"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}