{"id":22290,"date":"2026-03-08T17:13:28","date_gmt":"2026-03-08T16:13:28","guid":{"rendered":"https:\/\/www.ehu.eus\/chemistry\/theory\/?p=22290"},"modified":"2026-03-08T17:14:08","modified_gmt":"2026-03-08T16:14:08","slug":"pol-kt-lab-publications","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/pol-kt-lab-publications\/","title":{"rendered":"Pol-KT Lab Publications"},"content":{"rendered":"<div class=\"teachpress_pub_list\"><form name=\"tppublistform\" method=\"get\"><a name=\"tppubs\" id=\"tppubs\"><\/a><\/form><div class=\"tablenav\"><div class=\"tablenav-pages\"><span class=\"displaying-num\">123 entries<\/span> <a class=\"page-numbers button disabled\">&laquo;<\/a> <a class=\"page-numbers button disabled\">&lsaquo;<\/a> 1 of 13 <a href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/pol-kt-lab-publications\/?limit=2&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=#tppubs\" title=\"next page\" class=\"page-numbers button\">&rsaquo;<\/a> <a href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/pol-kt-lab-publications\/?limit=13&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=#tppubs\" title=\"last page\" class=\"page-numbers button\">&raquo;<\/a> <\/div><\/div><div class=\"teachpress_publication_list\"><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">123.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Gastearena, Xuban;  Ruip\u00e9rez, Fernando;  Barroso-Bujans, Fabienne;  Lam, Anabel;  Matxain, Jon M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('1310','tp_links')\" style=\"cursor:pointer;\">An insight into the monomeric isomerism in the polymerization of glycidol with B(C6F5)3: A DFT study of the initiation, propagation and cyclization steps<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Polymer<\/em>, <strong>2026<\/strong>, 350(129792)<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_1310\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1310','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_1310\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1310','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_1310\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Gastearena2026,<br \/>\r\ntitle = {An insight into the monomeric isomerism in the polymerization of glycidol with B(C6F5)3: A DFT study of the initiation, propagation and cyclization steps},<br \/>\r\nauthor = {Xuban Gastearena and Fernando Ruip\u00e9rez and Fabienne Barroso-Bujans and Anabel Lam and Jon M. Matxain},<br \/>\r\ndoi = {10.1016\/j.polymer.2026.129792},<br \/>\r\nissn = {0032-3861},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-04-02},<br \/>\r\nurldate = {2026-04-02},<br \/>\r\njournal = {Polymer},<br \/>\r\nvolume = {350},<br \/>\r\nnumber = {129792},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1310','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_1310\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.polymer.2026.129792\" title=\"Follow DOI:10.1016\/j.polymer.2026.129792\" target=\"_blank\">doi:10.1016\/j.polymer.2026.129792<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1310','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">122.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Kanavos, Ioannis;  Nakahata, Douglas H.;  Barrett, Madeleine S.; dos Santos, Anc\u00e9ly F.;  Zubiria-Ulacia, Maria;  Pieslinger, German E.; da Silva Teixeira, Ana Beatriz;  Medeiros, Isadora;  Rocha, Clarissa Ribeiro Reily;  Eberle, Jonas;  Lobinski, Ryszard;  Matxain, Jon Mattin;  Hall, Matthew D.;  Angeli, Jos\u00e9 P. Friedmann;  Arn\u00e9r, Elias S. J.;  Ronga, Luisa; de Paiva, Raphael E. F.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('1309','tp_links')\" style=\"cursor:pointer;\">What lies beyond thioredoxin reductase? Cyclometallated gold compounds reveal Sec selectivity in glutathione peroxidases<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Free Radical Biology and Medicine<\/em>, <strong>2026<\/strong>, 247, 139--156<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_1309\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1309','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_1309\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1309','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_1309\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Kanavos2026,<br \/>\r\ntitle = {What lies beyond thioredoxin reductase? Cyclometallated gold compounds reveal Sec selectivity in glutathione peroxidases},<br \/>\r\nauthor = {Ioannis Kanavos and Douglas H. Nakahata and Madeleine S. Barrett and Anc\u00e9ly F. dos Santos and Maria Zubiria-Ulacia and German E. Pieslinger and Ana Beatriz da Silva Teixeira and Isadora Medeiros and Clarissa Ribeiro Reily Rocha and Jonas Eberle and Ryszard Lobinski and Jon Mattin Matxain and Matthew D. Hall and Jos\u00e9 P. Friedmann Angeli and Elias S.J. Arn\u00e9r and Luisa Ronga and Raphael E.F. de Paiva},<br \/>\r\ndoi = {10.1016\/j.freeradbiomed.2026.02.007},<br \/>\r\nissn = {0891-5849},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-04-01},<br \/>\r\njournal = {Free Radical Biology and Medicine},<br \/>\r\nvolume = {247},<br \/>\r\npages = {139--156},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1309','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_1309\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.freeradbiomed.2026.02.007\" title=\"Follow DOI:10.1016\/j.freeradbiomed.2026.02.007\" target=\"_blank\">doi:10.1016\/j.freeradbiomed.2026.02.007<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1309','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">121.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Calvo, Unai;  Matxain, Jon M.;  Egurrola, Jose Javier;  Burgoa, Aizeti;  Ruip\u00e9rez, Fernando<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('942','tp_links')\" style=\"cursor:pointer;\">Polymer-metal oxide interfaces in XHNBR\/PA6 blends: computational insights toward sustainable crosslinking<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>RSC Adv.<\/em>, <strong>2026<\/strong>, 16(10), 9167--9179<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_942\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('942','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_942\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('942','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_942\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('942','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_942\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Calvo2026,<br \/>\r\ntitle = {Polymer-metal oxide interfaces in XHNBR\/PA6 blends: computational insights toward sustainable crosslinking},<br \/>\r\nauthor = {Unai Calvo and Jon M. Matxain and Jose Javier Egurrola and Aizeti Burgoa and Fernando Ruip\u00e9rez},<br \/>\r\ndoi = {10.1039\/d5ra09279e},<br \/>\r\nissn = {2046-2069},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-02-11},<br \/>\r\njournal = {RSC Adv.},<br \/>\r\nvolume = {16},<br \/>\r\nnumber = {10},<br \/>\r\npages = {9167--9179},<br \/>\r\npublisher = {Royal Society of Chemistry (RSC)},<br \/>\r\nabstract = {<jats:p>Polyamide 6 (PA6) is a high-performance thermoplastic widely used in engineering applications, while carboxylated hydrogenated nitrile rubber (XHNBR) provides viscoelastic damping and reactive carboxyl groups for crosslinking with metal oxides.<\/jats:p>},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('942','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_942\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:p>Polyamide 6 (PA6) is a high-performance thermoplastic widely used in engineering applications, while carboxylated hydrogenated nitrile rubber (XHNBR) provides viscoelastic damping and reactive carboxyl groups for crosslinking with metal oxides.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('942','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_942\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d5ra09279e\" title=\"Follow DOI:10.1039\/d5ra09279e\" target=\"_blank\">doi:10.1039\/d5ra09279e<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('942','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">120.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Gastearena, Xuban;  Matxain, Jon M.;  Ruip\u00e9rez, Fernando<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('902','tp_links')\" style=\"cursor:pointer;\">Exploring N<sub>2<\/sub> activation using novel Lewis acid\/base pairs: computational insight into frustrated Lewis pair reactivity<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Dalton Trans.<\/em>, <strong>2025<\/strong>, 54(10), 4338--4352<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_902\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('902','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_902\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('902','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_902\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('902','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_902\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Gastearena2025,<br \/>\r\ntitle = {Exploring N_{2} activation using novel Lewis acid\/base pairs: computational insight into frustrated Lewis pair reactivity},<br \/>\r\nauthor = {Xuban Gastearena and Jon M. Matxain and Fernando Ruip\u00e9rez},<br \/>\r\ndoi = {10.1039\/d4dt03425b},<br \/>\r\nissn = {1477-9234},<br \/>\r\nyear  = {2025},<br \/>\r\ndate = {2025-03-04},<br \/>\r\njournal = {Dalton Trans.},<br \/>\r\nvolume = {54},<br \/>\r\nnumber = {10},<br \/>\r\npages = {4338--4352},<br \/>\r\npublisher = {Royal Society of Chemistry (RSC)},<br \/>\r\nabstract = {<jats:p>Geometrically constrained transition metal-free Lewis acids effectively capture N<jats:sub>2<\/jats:sub> and Lewis bases help activate it through a \u201cpush\u2013pull\u201d mechanism. Triptycene-based and phosphine-based FLPs represent the most promising candidates for N<jats:sub>2<\/jats:sub> activation.<\/jats:p>},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('902','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_902\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:p>Geometrically constrained transition metal-free Lewis acids effectively capture N<jats:sub>2<\/jats:sub> and Lewis bases help activate it through a \u201cpush\u2013pull\u201d mechanism. Triptycene-based and phosphine-based FLPs represent the most promising candidates for N<jats:sub>2<\/jats:sub> activation.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('902','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_902\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d4dt03425b\" title=\"Follow DOI:10.1039\/d4dt03425b\" target=\"_blank\">doi:10.1039\/d4dt03425b<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('902','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">119.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Gastearena, Xuban;  Barroso-Bujans, Fabienne;  Ruip\u00e9rez, Fernando;  Matxain, Jon M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('903','tp_links')\" style=\"cursor:pointer;\">Computational Analysis of the Lewis Acid-Catalyzed Zwitterionic Ring-Expansion Polymerization (ZREP) of Monosubstituted Ethylene Oxide<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>J. Org. Chem.<\/em>, <strong>2025<\/strong>, 90(7), 2592--2601<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_903\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('903','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_903\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('903','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_903\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Gastearena2025b,<br \/>\r\ntitle = {Computational Analysis of the Lewis Acid-Catalyzed Zwitterionic Ring-Expansion Polymerization (ZREP) of Monosubstituted Ethylene Oxide},<br \/>\r\nauthor = {Xuban Gastearena and Fabienne Barroso-Bujans and Fernando Ruip\u00e9rez and Jon M. Matxain},<br \/>\r\ndoi = {10.1021\/acs.joc.4c02264},<br \/>\r\nissn = {1520-6904},<br \/>\r\nyear  = {2025},<br \/>\r\ndate = {2025-02-21},<br \/>\r\njournal = {J. Org. Chem.},<br \/>\r\nvolume = {90},<br \/>\r\nnumber = {7},<br \/>\r\npages = {2592--2601},<br \/>\r\npublisher = {American Chemical Society (ACS)},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('903','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_903\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.joc.4c02264\" title=\"Follow DOI:10.1021\/acs.joc.4c02264\" target=\"_blank\">doi:10.1021\/acs.joc.4c02264<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('903','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">118.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Pagnacco, Carlo Andrea;  Gastearena, Xuban; de San Rom\u00e1n, Estibaliz Gonz\u00e1lez;  Matxain, Jon M.;  Barroso\u2010Bujans, Fabienne<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('871','tp_links')\" style=\"cursor:pointer;\">Zwitterionic ring expansion polymerization of <i>tert<\/i>\u2010butyl glycidyl ether with <scp>B(C<sub>6<\/sub>F<sub>5<\/sub>)<sub>3<\/sub><\/scp> towards the generation of cyclic chains<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Journal of Polymer Science<\/em>, <strong>2024<\/strong>, 62(12), 2704--2715<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_871\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('871','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_871\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('871','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_871\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('871','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_871\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Pagnacco2024,<br \/>\r\ntitle = {Zwitterionic ring expansion polymerization of \\textit{tert}\u2010butyl glycidyl ether with <scp>B(C_{6}F_{5})_{3}<\/scp> towards the generation of cyclic chains},<br \/>\r\nauthor = {Carlo Andrea Pagnacco and Xuban Gastearena and Estibaliz Gonz\u00e1lez de San Rom\u00e1n and Jon M. Matxain and Fabienne Barroso\u2010Bujans},<br \/>\r\ndoi = {10.1002\/pol.20240112},<br \/>\r\nissn = {2642-4169},<br \/>\r\nyear  = {2024},<br \/>\r\ndate = {2024-06-15},<br \/>\r\njournal = {Journal of Polymer Science},<br \/>\r\nvolume = {62},<br \/>\r\nnumber = {12},<br \/>\r\npages = {2704--2715},<br \/>\r\npublisher = {Wiley},<br \/>\r\nabstract = {<jats:title>Abstract<\/jats:title><jats:p>The synthesis of cyclic polymers via zwitterionic ring expansion polymerization is limited to a few number of monomer and catalyst pairs. Herein we report the synthesis of cyclic poly(<jats:italic>tert<\/jats:italic>\u2010butyl glycidyl ether) through the polymerization of <jats:italic>tert<\/jats:italic>\u2010butyl glycidyl ether (tBGE) with B(C<jats:sub>6<\/jats:sub>F<jats:sub>5<\/jats:sub>)<jats:sub>3<\/jats:sub> in different reaction conditions that include different solvents, monomer to initiator ratio, monomer concentration and temperature. We found that bimodal molecular weight distribution is formed in almost all reaction conditions caused by cyclization of short chains. Subsequent chain elongation leads to the formation of cycles of higher molecular weight, particularly in cyclohexane and under bulk conditions. The formation of non\u2010cyclic byproducts is common in all the systems investigated. Low molecular weight cyclic chains (M<jats:sub>n<\/jats:sub>\u2009=\u20090.7\u2009kDa, \u00d0\u2009=\u20091.1) of high topological purity were successfully isolated by preparative gel permeation chromatography. By using a click scavenging protocol, the non\u2010cyclic byproducts were eliminated from the high molecular weight fraction (M<jats:sub>n<\/jats:sub>\u2009=\u20093\u2009kDa, \u00d0\u2009=\u20091.3) generating pure cyclic chains. Mechanistic investigation using density functional theory calculations was performed on the formation of zwitterionic intermediates and the transfer reaction to the monomer, which notably affects chain growth by the attack of the glycidyl oxygen of the monomer on the growing chain.<\/jats:p>},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('871','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_871\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:title>Abstract<\/jats:title><jats:p>The synthesis of cyclic polymers via zwitterionic ring expansion polymerization is limited to a few number of monomer and catalyst pairs. Herein we report the synthesis of cyclic poly(<jats:italic>tert<\/jats:italic>\u2010butyl glycidyl ether) through the polymerization of <jats:italic>tert<\/jats:italic>\u2010butyl glycidyl ether (tBGE) with B(C<jats:sub>6<\/jats:sub>F<jats:sub>5<\/jats:sub>)<jats:sub>3<\/jats:sub> in different reaction conditions that include different solvents, monomer to initiator ratio, monomer concentration and temperature. We found that bimodal molecular weight distribution is formed in almost all reaction conditions caused by cyclization of short chains. Subsequent chain elongation leads to the formation of cycles of higher molecular weight, particularly in cyclohexane and under bulk conditions. The formation of non\u2010cyclic byproducts is common in all the systems investigated. Low molecular weight cyclic chains (M<jats:sub>n<\/jats:sub>\u2009=\u20090.7\u2009kDa, \u00d0\u2009=\u20091.1) of high topological purity were successfully isolated by preparative gel permeation chromatography. By using a click scavenging protocol, the non\u2010cyclic byproducts were eliminated from the high molecular weight fraction (M<jats:sub>n<\/jats:sub>\u2009=\u20093\u2009kDa, \u00d0\u2009=\u20091.3) generating pure cyclic chains. Mechanistic investigation using density functional theory calculations was performed on the formation of zwitterionic intermediates and the transfer reaction to the monomer, which notably affects chain growth by the attack of the glycidyl oxygen of the monomer on the growing chain.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('871','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_871\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/pol.20240112\" title=\"Follow DOI:10.1002\/pol.20240112\" target=\"_blank\">doi:10.1002\/pol.20240112<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('871','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">117.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Izu, Asier E.;  Matxain, Jon M.;  Casanova, David<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('872','tp_links')\" style=\"cursor:pointer;\">Reverse intersystem crossing mechanisms in doped triangulenes<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Phys. Chem. Chem. Phys.<\/em>, <strong>2024<\/strong>, 26(15), 11459--11468<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_872\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('872','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_872\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('872','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_872\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('872','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_872\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Izu2024,<br \/>\r\ntitle = {Reverse intersystem crossing mechanisms in doped triangulenes},<br \/>\r\nauthor = {Asier E. Izu and Jon M. Matxain and David Casanova},<br \/>\r\ndoi = {10.1039\/d4cp00304g},<br \/>\r\nissn = {1463-9084},<br \/>\r\nyear  = {2024},<br \/>\r\ndate = {2024-04-17},<br \/>\r\njournal = {Phys. Chem. Chem. Phys.},<br \/>\r\nvolume = {26},<br \/>\r\nnumber = {15},<br \/>\r\npages = {11459--11468},<br \/>\r\npublisher = {Royal Society of Chemistry (RSC)},<br \/>\r\nabstract = {<jats:p>Electronic structure calculations suggest that reverse intersystem crossing in B and N-doped triangulenes can occur <jats:italic>via<\/jats:italic> both direct (spin\u2013orbit coupling) and mediated (spin\u2013vibronic coupling) mechanisms.<\/jats:p>},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('872','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_872\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:p>Electronic structure calculations suggest that reverse intersystem crossing in B and N-doped triangulenes can occur <jats:italic>via<\/jats:italic> both direct (spin\u2013orbit coupling) and mediated (spin\u2013vibronic coupling) mechanisms.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('872','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_872\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d4cp00304g\" title=\"Follow DOI:10.1039\/d4cp00304g\" target=\"_blank\">doi:10.1039\/d4cp00304g<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('872','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">116.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Nakahata, Douglas H.;  Kanavos, Ioannis;  Zubiria\u2010Ulacia, Maria;  Inague, Alex;  Salassa, Luca;  Lobinski, Ryszard;  Miyamoto, Sayuri;  Matxain, Jon Mattin;  Ronga, Luisa; de Paiva, Raphael E. F.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('859','tp_links')\" style=\"cursor:pointer;\">Gold\u2010Promoted Biocompatible Selenium Arylation of Small Molecules, Peptides and Proteins<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Chemistry A European J<\/em>, <strong>2024<\/strong>, 30(15)<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_859\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('859','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_859\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('859','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_859\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('859','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_859\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Nakahata2024,<br \/>\r\ntitle = {Gold\u2010Promoted Biocompatible Selenium Arylation of Small Molecules, Peptides and Proteins},<br \/>\r\nauthor = {Douglas H. Nakahata and Ioannis Kanavos and Maria Zubiria\u2010Ulacia and Alex Inague and Luca Salassa and Ryszard Lobinski and Sayuri Miyamoto and Jon Mattin Matxain and Luisa Ronga and Raphael E. F. de Paiva},<br \/>\r\ndoi = {10.1002\/chem.202304050},<br \/>\r\nissn = {1521-3765},<br \/>\r\nyear  = {2024},<br \/>\r\ndate = {2024-03-12},<br \/>\r\njournal = {Chemistry A European J},<br \/>\r\nvolume = {30},<br \/>\r\nnumber = {15},<br \/>\r\npublisher = {Wiley},<br \/>\r\nabstract = {<jats:title>Abstract<\/jats:title><jats:p>A low pKa (5.2), high polarizable volume (3.8\u2005\u00c5), and proneness to oxidation under ambient conditions make selenocysteine (Sec, U) a unique, natural reactive handle present in most organisms across all domains of life. Sec modification still has untapped potential for site\u2010selective protein modification and probing. Herein we demonstrate the use of a cyclometalated gold(III) compound, [Au(bnpy)Cl<jats:sub>2<\/jats:sub>], in the arylation of diselenides of biological significance, with a scope covering small molecule models, peptides, and proteins using a combination of multinuclear NMR (including <jats:sup>77<\/jats:sup>Se\u2009NMR), and LC\u2013MS. Diphenyl diselenide (Ph\u2212Se)<jats:sub>2<\/jats:sub> and selenocystine, (Sec)<jats:sub>2<\/jats:sub>, were used for reaction optimization. This approach allowed us to demonstrate that an excess of diselenide (Au\/Se\u2212Se) and an increasing water percentage in the reaction media enhance both the conversion and kinetics of the C\u2212Se coupling reaction, a combination that makes the reaction biocompatible. The C\u2212Se coupling reaction was also shown to happen for the diselenide analogue of the cyclic peptide vasopressin ((Se\u2212Se)\u2010AVP), and the <jats:italic>Bos taurus<\/jats:italic> glutathione peroxidase (GPx1) enzyme in ammonium acetate (2\u2005mM, pH=7.0). The reaction mechanism, studied by DFT revealed a redox\u2010based mechanism where the C\u2212Se coupling is enabled by the reductive elimination of the cyclometalated Au(III) species into Au(I).<\/jats:p>},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('859','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_859\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:title>Abstract<\/jats:title><jats:p>A low pKa (5.2), high polarizable volume (3.8\u2005\u00c5), and proneness to oxidation under ambient conditions make selenocysteine (Sec, U) a unique, natural reactive handle present in most organisms across all domains of life. Sec modification still has untapped potential for site\u2010selective protein modification and probing. Herein we demonstrate the use of a cyclometalated gold(III) compound, [Au(bnpy)Cl<jats:sub>2<\/jats:sub>], in the arylation of diselenides of biological significance, with a scope covering small molecule models, peptides, and proteins using a combination of multinuclear NMR (including <jats:sup>77<\/jats:sup>Se\u2009NMR), and LC\u2013MS. Diphenyl diselenide (Ph\u2212Se)<jats:sub>2<\/jats:sub> and selenocystine, (Sec)<jats:sub>2<\/jats:sub>, were used for reaction optimization. This approach allowed us to demonstrate that an excess of diselenide (Au\/Se\u2212Se) and an increasing water percentage in the reaction media enhance both the conversion and kinetics of the C\u2212Se coupling reaction, a combination that makes the reaction biocompatible. The C\u2212Se coupling reaction was also shown to happen for the diselenide analogue of the cyclic peptide vasopressin ((Se\u2212Se)\u2010AVP), and the <jats:italic>Bos taurus<\/jats:italic> glutathione peroxidase (GPx1) enzyme in ammonium acetate (2\u2005mM, pH=7.0). The reaction mechanism, studied by DFT revealed a redox\u2010based mechanism where the C\u2212Se coupling is enabled by the reductive elimination of the cyclometalated Au(III) species into Au(I).<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('859','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_859\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/chem.202304050\" title=\"Follow DOI:10.1002\/chem.202304050\" target=\"_blank\">doi:10.1002\/chem.202304050<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('859','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">115.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Matxain, Jon M.;  Huertos, Miguel A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('852','tp_links')\" style=\"cursor:pointer;\">Hydrogen Tunneling in Stoichiometric and Catalytic Reactions involving Transition Metals<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>ChemCatChem<\/em>, <strong>2023<\/strong>, 15(24)<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_852\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('852','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_852\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('852','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_852\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('852','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_852\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Matxain2023,<br \/>\r\ntitle = {Hydrogen Tunneling in Stoichiometric and Catalytic Reactions involving Transition Metals},<br \/>\r\nauthor = {Jon M. Matxain and Miguel A. Huertos},<br \/>\r\ndoi = {10.1002\/cctc.202300962},<br \/>\r\nissn = {1867-3899},<br \/>\r\nyear  = {2023},<br \/>\r\ndate = {2023-12-19},<br \/>\r\njournal = {ChemCatChem},<br \/>\r\nvolume = {15},<br \/>\r\nnumber = {24},<br \/>\r\npublisher = {Wiley},<br \/>\r\nabstract = {<jats:title>Abstract<\/jats:title><jats:p>Hydrogen tunneling is a type of quantum tunneling in which a hydrogen atom passes through a potential barrier without reaching the transition state governed by classical mechanics. The participation of hydrogen tunneling in a chemical reaction (stoichiometric or catalytic) can result in the formation of products that without this phenomenon would be impossible to achieve or would be formed in a very slow way. This concept paper aims to review some of the most representative examples of transition\u2010metal mediated chemical reactions involving hydrogen tunneling. The experimental tools to determine the possibility of the participation of quantum tunneling in a chemical reaction are presented. In addition, the theoretical methods that have been developed to calculate the effect of quantum tunneling on chemical reactions are discussed. Finally, from a personal perspective, the steps to be taken in order to predict and implement this phenomenon are proposed.<\/jats:p>},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('852','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_852\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:title>Abstract<\/jats:title><jats:p>Hydrogen tunneling is a type of quantum tunneling in which a hydrogen atom passes through a potential barrier without reaching the transition state governed by classical mechanics. The participation of hydrogen tunneling in a chemical reaction (stoichiometric or catalytic) can result in the formation of products that without this phenomenon would be impossible to achieve or would be formed in a very slow way. This concept paper aims to review some of the most representative examples of transition\u2010metal mediated chemical reactions involving hydrogen tunneling. The experimental tools to determine the possibility of the participation of quantum tunneling in a chemical reaction are presented. In addition, the theoretical methods that have been developed to calculate the effect of quantum tunneling on chemical reactions are discussed. Finally, from a personal perspective, the steps to be taken in order to predict and implement this phenomenon are proposed.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('852','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_852\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/cctc.202300962\" title=\"Follow DOI:10.1002\/cctc.202300962\" target=\"_blank\">doi:10.1002\/cctc.202300962<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('852','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">114.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Prieto-Pascual, Unai;  Alli, I\u00f1igo V.;  Bustos, Itxaso;  Vitorica-Yrezabal, I\u00f1igo J.;  Matxain, Jon M.;  Freixa, Zoraida;  Huertos, Miguel A.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('865','tp_links')\" style=\"cursor:pointer;\">Air-Stable 14-Electron Rhodium(III) Complexes Bearing Si,N Ligands as Catalysts in Hydrolysis of Silanes<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Organometallics<\/em>, <strong>2023<\/strong>, 42(20), 2991--2998<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_865\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('865','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_865\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('865','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_865\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Prieto-Pascual2023,<br \/>\r\ntitle = {Air-Stable 14-Electron Rhodium(III) Complexes Bearing Si,N Ligands as Catalysts in Hydrolysis of Silanes},<br \/>\r\nauthor = {Unai Prieto-Pascual and I\u00f1igo V. Alli and Itxaso Bustos and I\u00f1igo J. Vitorica-Yrezabal and Jon M. Matxain and Zoraida Freixa and Miguel A. Huertos},<br \/>\r\ndoi = {10.1021\/acs.organomet.3c00324},<br \/>\r\nissn = {1520-6041},<br \/>\r\nyear  = {2023},<br \/>\r\ndate = {2023-10-23},<br \/>\r\njournal = {Organometallics},<br \/>\r\nvolume = {42},<br \/>\r\nnumber = {20},<br \/>\r\npages = {2991--2998},<br \/>\r\npublisher = {American Chemical Society (ACS)},<br \/>\r\nkeywords = {},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('865','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_865\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.organomet.3c00324\" title=\"Follow DOI:10.1021\/acs.organomet.3c00324\" target=\"_blank\">doi:10.1021\/acs.organomet.3c00324<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('865','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><\/div><div class=\"tablenav\"><div class=\"tablenav-pages\"><span class=\"displaying-num\">123 entries<\/span> <a class=\"page-numbers button disabled\">&laquo;<\/a> <a class=\"page-numbers button disabled\">&lsaquo;<\/a> 1 of 13 <a href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/pol-kt-lab-publications\/?limit=2&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=#tppubs\" title=\"next page\" class=\"page-numbers button\">&rsaquo;<\/a> <a href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/pol-kt-lab-publications\/?limit=13&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=#tppubs\" title=\"last page\" class=\"page-numbers button\">&raquo;<\/a> <\/div><\/div><\/div>\n","protected":false},"excerpt":{"rendered":"<p>polkt<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[78],"tags":[],"class_list":["post-22290","post","type-post","status-publish","format-standard","hentry","category-5_kt-seminars"],"blocksy_meta":{"has_hero_section":"enabled","hero_elements":[{"id":"custom_title","enabled":true,"heading_tag":"h1","title":"Home","__id":"q83X54JDYskBj5T6QzNj0"},{"id":"custom_description","enabled":true,"description_visibility":{"desktop":true,"tablet":true,"mobile":false},"__id":"xlmilChurmepACzSDo-Xp"},{"id":"custom_meta","enabled":false,"meta_elements":[{"id":"author","enabled":true,"label":"By","has_author_avatar":"yes","avatar_size":25},{"id":"post_date","enabled":true,"label":"On","date_format_source":"default","date_format":"M j, Y"},{"id":"updated_date","enabled":false,"label":"On","date_format_source":"default","date_format":"M j, Y"},{"id":"categories","enabled":true,"label":"In","style":"simple"},{"id":"comments","enabled":true}],"page_meta_elements":{"joined":true,"articles_count":true,"comments":true},"__id":"tOv-wdK543CqOhgWbai-N"},{"id":"breadcrumbs","enabled":false,"__id":"mBcuBDLhqAhz40yPftx3t"}],"styles_descriptor":{"styles":{"desktop":"[data-prefix=\"single_blog_post\"] .entry-header .page-title {--theme-font-size:30px;} [data-prefix=\"single_blog_post\"] .entry-header .entry-meta {--theme-font-weight:600;--theme-text-transform:uppercase;--theme-font-size:12px;--theme-line-height:1.3;}","tablet":"","mobile":""},"google_fonts":[],"version":6}},"acf":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/22290","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/comments?post=22290"}],"version-history":[{"count":2,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/22290\/revisions"}],"predecessor-version":[{"id":22292,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/22290\/revisions\/22292"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=22290"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/categories?post=22290"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/tags?post=22290"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}