{"id":9725,"date":"2015-06-17T10:49:53","date_gmt":"2015-06-17T08:49:53","guid":{"rendered":"https:\/\/web.computaex.es\/?page_id=9725"},"modified":"2025-08-27T10:50:32","modified_gmt":"2025-08-27T08:50:32","slug":"influence-of-the-n%e2%88%92n-coligand-c%e2%88%92c-coupling-instead-of-formation-of-imidazol-2-yl-complexes-at-mo%ce%b73%e2%80%91allylco2-fragments-theoretical-and-experimental-studies","status":"publish","type":"page","link":"https:\/\/computaex.es\/en\/publicaciones\/influence-of-the-n%e2%88%92n-coligand-c%e2%88%92c-coupling-instead-of-formation-of-imidazol-2-yl-complexes-at-mo%ce%b73%e2%80%91allylco2-fragments-theoretical-and-experimental-studies\/","title":{"rendered":"Influence of the N\u2212N Coligand: C\u2212C Coupling Instead of Formation of Imidazol-2-yl Complexes at {Mo(\u03b73\u2011allyl)(CO)2} Fragments. Theoretical and Experimental Studies"},"content":{"rendered":"
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New N-methylimidazole (N-MeIm) complexes of the {Mo(\u03b73-allyl)-(CO)2(N\u2212N)} fragment have been prepared, in which the N,N-bidentate chelate ligand is\u00a0a 2-pyridylimine. The addition of a strong base to the new compounds deprotonates the\u00a0central CH group of the imidazole ligand and subsequently forms the C\u2212C coupling product\u00a0that results from the nucleophilic attack to the imine C atom. This reactivity contrasts with\u00a0that previously found for the analogous 2,2\u2032bipyridine compounds [Mo(\u03b73-allyl)(CO)2-(bipy)(N-RIm)]OTf [N-RIm = N-MeIm, N-mesitylimidazole (N-MesIm, Mes=2,4,6-trimethylphenyl); OTf = trifluoromethanesulfonate) which afforded imidazol-2-yl complexes\u00a0upon deprotonation. Density Functional Theory (DFT) computations uncover that the\u00a0reactivity of the imine C atom along with its ability to delocalize electron density are\u00a0responsible for the new reactivity pattern found for the kind of molybdenum complexes\u00a0reported herein.<\/p>\n<\/div>\n<\/div>\n<\/div>\n

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Fuente de la publicaci\u00f3n:\u00a0<\/strong><\/div>\n
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Influence of the N\u2013N Coligand: C\u2013C Coupling Instead of Formation of Imidazol-2-yl Complexes at {Mo(\u03b73-allyl)(CO)2} Fragments. Theoretical and Experimental Studies
\nAndrea Cebollada, Maialen Espinal Viguri, Julio P\u00e9rez, Jes\u00fas D\u00edaz, Ram\u00f3n L\u00f3pez, and Luc\u00eda Riera
\nInorganic Chemistry\u00a02015\u00a054\u00a0(6), 2580-2590
\nDOI: 10.1021\/ic502729z<\/p>\n<\/div>\n<\/div>\n<\/div>\n","protected":false},"excerpt":{"rendered":"

New N-methylimidazole (N-MeIm) complexes of the {Mo(\u03b73-allyl)-(CO)2(N\u2212N)} fragment have been prepared, in which the N,N-bidentate chelate ligand is\u00a0a 2-pyridylimine. The addition of a strong base to the new compounds deprotonates …<\/p>","protected":false},"author":1,"featured_media":0,"parent":1583,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"categories":[110,91],"tags":[],"class_list":["post-9725","page","type-page","status-publish","hentry","category-anteriores","category-publicaciones"],"yoast_head":"\nInfluence of the N\u2212N Coligand: C\u2212C Coupling Instead of Formation of Imidazol-2-yl Complexes at {Mo(\u03b73\u2011allyl)(CO)2} Fragments. Theoretical and Experimental Studies - Fundaci\u00f3n COMPUTAEX<\/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:\/\/computaex.es\/en\/publicaciones\/influence-of-the-n\u2212n-coligand-c\u2212c-coupling-instead-of-formation-of-imidazol-2-yl-complexes-at-mo\u03b73\u2011allylco2-fragments-theoretical-and-experimental-studies\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Influence of the N\u2212N Coligand: C\u2212C Coupling Instead of Formation of Imidazol-2-yl Complexes at {Mo(\u03b73\u2011allyl)(CO)2} Fragments. 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