{"id":47353,"date":"2020-04-07T18:34:49","date_gmt":"2020-04-07T18:34:49","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/efecto-de-la-solvatacion-en-la-reactividad-quimica\/"},"modified":"2020-04-07T18:34:49","modified_gmt":"2020-04-07T18:34:49","slug":"efecto-de-la-solvatacion-en-la-reactividad-quimica","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/efecto-de-la-solvatacion-en-la-reactividad-quimica\/","title":{"rendered":"Efecto de la solvatacion en la reactividad quimica."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Vicente Forero Zornoza <\/strong><\/h2>\n<p>Se estudia el efecto de la solvatacion en las reacciones de sustitucion nucleofila  y de solvolisis. Se adopta el modelo de la supermolecular para representar dicho efecto evaluando la energia de solvatacion con los metodos semiempiricos cndo\/2 y mindo\/3. La minimizacion de la energia de los diferentes sistemas se realiza con metodos de metrica variable. Se han estudiado las siguientes reacciones:  a) el ataque los iones cn- y oh- solvatados al ion 1-alquil quinolinio  utilizando el modelo deslocalizado del estado de transicion. Los ordenes de ataque obtenidos coinciden con los experimentales.  b) la variacion con la solvatacion del calor de la barrera de potencial en la reaccion ch sub 3 f sub (1) mas f sub (2) ch sub 3 f sub (2) mas f sub (1). Se obtiene un considerable aumento de esta respecto al caso en que se estudia la reaccion para las especies aisladas.  c) da disociacion de hf y h sub 2 f solvatados.  resultando que la aparicion o no de pares ionicos intermedios  se debe a considerar estructuras fijas en las moleculas de agua.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Efecto de la solvatacion en la reactividad quimica.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Efecto de la solvatacion en la reactividad quimica. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Vicente Forero Zornoza <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Aut\u00f3noma de Madrid<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1980<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h3>Direcci\u00f3n y tribunal<\/h3>\n<ul>\n<li><strong>Director de la tesis<\/strong>\n<ul>\n<li>Juan Bertr\u00e1n Rusca<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal:  Hernandez Alonso  Jos\u00e9 Ignacio <\/li>\n<li>Celso Gutierrez Losa (vocal)<\/li>\n<li>Juan Sancho Gomez (vocal)<\/li>\n<li>Juan Bertr\u00e1n Rusca (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Vicente Forero Zornoza Se estudia el efecto de la solvatacion en las reacciones de sustitucion nucleofila y [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center 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