{"id":2342,"date":"2024-04-10T13:55:23","date_gmt":"2024-04-10T11:55:23","guid":{"rendered":"http:\/\/10.128.3.28\/?page_id=2342"},"modified":"2025-08-29T11:57:04","modified_gmt":"2025-08-29T09:57:04","slug":"proyecto-elucidacion-y-estudios-mecanisticos-en-reactividad-organica-y-organometalica","status":"publish","type":"page","link":"https:\/\/computaex.es\/en\/proyectos\/proyecto-elucidacion-y-estudios-mecanisticos-en-reactividad-organica-y-organometalica\/","title":{"rendered":"Elucidaci\u00f3n y estudios mecan\u00edsticos en reactividad org\u00e1nica y organomet\u00e1lica"},"content":{"rendered":"
\n
Investigadores:\u00a0<\/strong><\/div>\n
\n
\n
    \n
  • Jes\u00fas D\u00edaz \u00c1lvarez. Laboratorio de Qu\u00edmica Bioorg\u00e1nica y Biof\u00edsica de Membranas. Universidad de Extremadura.<\/li>\n<\/ul>\n<\/div>\n<\/div>\n<\/div>\n
    \n
    Objetivos:\u00a0<\/strong><\/div>\n
    \n
    \n

    Los objetivos de los estudios computacionales que se pretenden llevar a cabo son los de apoyar, estudiar y prever la reactividad org\u00e1nica que se est\u00e1 realizando en el\u00a0Laboratorio de Qu\u00edmica Bioorg\u00e1nica y Biof\u00edsica de Membranas de la Universidad de Extremadura.<\/p>\n

    Por un lado las reacciones multicomponentes para la s\u00edntesis de productos con potencial actividad biol\u00f3gica son objeto de este grupo de investigaci\u00f3n desde hace unos a\u00f1os. Este proyecto ha reportado la publicaci\u00f3n de bastantes art\u00edculos en los \u00faltimos a\u00f1os, existiendo un campo amplio aun por explorar. La exploraci\u00f3n debe ser experimental pero una aproximaci\u00f3n te\u00f3rica puede ayudar a enfocar el problema, o a su vez a explicar los resultados experimentales obtenidos. Por ello en los \u00faltimos art\u00edculos cient\u00edficos publicados siempre ha habido una parte importante dedicada a los c\u00e1lculos computacionales realizados.<\/p>\n

    En segundo lugar y no menos importante, la incorporaci\u00f3n de distintos metales de transici\u00f3n unidos a ligandos org\u00e1nicos hace variar la reactividad de manera muy dependiente del metal as\u00ed como del ligando, lo que abre la puerta a qu\u00edmica muy novedosa y de gran inter\u00e9s.<\/p>\n<\/div>\n<\/div>\n<\/div>\n

    \n
    Publicaciones y congresos:\u00a0<\/strong><\/div>\n
    \n
    \n
      \n
    1. Alvarez, D.; Mera-Adasme, R.; Riera, L.; Cardenas-Jiron, G. I.; Perez, J.; Diaz, J.; Menendez, M. I.; Lopez, R., Insights on the Reactivity of Terminal Phosphanido Metal Complexes toward Activated Alkynes from Theoretical Computations. Inorg Chem 2017, 56 (11), 6652-6661.<\/li>\n
    2. Wang, J.; Ganguly, R.; Yongxin, L.; Diaz, J.; Soo, H. S.; Garcia, F., Synthesis and the Optical and Electrochemical Properties of Indium(III) Bis(arylimino)acenaphthene Complexes. Inorg Chem 2017, 56 (14), 7811-7820.<\/li>\n
    3. Shi, Y. X.; Liang, R. Z.; Martin, K. A.; Star, D. G.; Diaz, J.; Li, X. Y.; Ganguly, R.; Garcia, F., Steric C-N bond activation on the dimeric macrocycle [{P(mu-NR)}2(mu-NR)]2. Chem Commun (Camb) 2015, 51 (92), 16468-71.<\/li>\n
    4. Fombona, S.; Espinal-Viguri, M.; Huertos, M. A.; Diaz, J.; Lopez, R.; Menendez, M. I.; Perez, J.; Riera, L., Activation of Aromatic C-C Bonds of 2,2′-Bipyridine Ligands. Chemistry 2016, 22 (48), 17160-17164.<\/li>\n
    5. Bornadiego, A.; Diaz, J.; Marcos, C. F., Regioselective Tandem [4 + 1]-[4 + 2] Synthesis of Amino-Substituted Dihydroxanthones and Xanthones. J Org Chem 2015, 80 (12), 6165-72.<\/li>\n
    6. Cebollada, A.; Viguri, M. E.; Perez, J.; Diaz, J.; Lopez, R.; Riera, L., Influence of the N-N Coligand: C-C coupling
      \ninstead of formation of imidazol-2-yl complexes at {Mo(eta(3)-allyl)(CO)2} fragments. Theoretical and experimental
      \nstudies. Inorg Chem 2015, 54 (6), 2580-90.<\/li>\n<\/ol>\n<\/div>\n<\/div>\n<\/div>\n
      <\/div>\n","protected":false},"excerpt":{"rendered":"

      Investigadores:\u00a0 Jes\u00fas D\u00edaz \u00c1lvarez. Laboratorio de Qu\u00edmica Bioorg\u00e1nica y Biof\u00edsica de Membranas. Universidad de Extremadura. Objetivos:\u00a0 Los objetivos de los estudios computacionales que se pretenden llevar a cabo son los …<\/p>","protected":false},"author":1,"featured_media":0,"parent":9950,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"categories":[103,81],"tags":[],"class_list":["post-2342","page","type-page","status-publish","hentry","category-ciencias-de-la-vida","category-proyectos"],"yoast_head":"\nElucidaci\u00f3n y estudios mecan\u00edsticos en reactividad org\u00e1nica y organomet\u00e1lica - 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\/proyectos\/proyecto-elucidacion-y-estudios-mecanisticos-en-reactividad-organica-y-organometalica\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Elucidaci\u00f3n y estudios mecan\u00edsticos en reactividad org\u00e1nica y organomet\u00e1lica - Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"og:description\" content=\"Investigadores:\u00a0 Jes\u00fas D\u00edaz \u00c1lvarez. 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