{"id":73480,"date":"2005-08-04T00:00:00","date_gmt":"2005-08-04T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/structure-and-fragmentacion-of-neutral-and-positively-charged-carbon-clusters-and-fullerenes\/"},"modified":"2005-08-04T00:00:00","modified_gmt":"2005-08-04T00:00:00","slug":"structure-and-fragmentacion-of-neutral-and-positively-charged-carbon-clusters-and-fullerenes","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/quimica\/structure-and-fragmentacion-of-neutral-and-positively-charged-carbon-clusters-and-fullerenes\/","title":{"rendered":"Structure and fragmentacion of neutral and positively charged carbon clusters and fullerenes"},"content":{"rendered":"<h2>Tesis doctoral de <strong>  Diaz Tendero Victoria Sergio <\/strong><\/h2>\n<p>En esta tesis se presenta el estudio te\u00f3rico de la estructura y la fragmentaci\u00f3n de peque\u00f1os agregados de carbono y de fullerenos neutros y cargados positivamente. el estudio de los peque\u00f1os agregados de carbono (cnq+, n=2-9, q=0,1 y 2) se ha abordado desde dos perspectivas diferentes aunque \u00edntimamente relacionadas entre s\u00ed. Primero se ha descrito la estructura electr\u00f3nica, la geometr\u00eda y las propiedades vibracionales de los agregados neutros, simple y doblemente cargados. Esto ha permitido evaluar la estabilidad de los diferentes is\u00f3meros y la variaci\u00f3n en las propiedades como la energ\u00eda de disociaci\u00f3n y el potencial de ionizaci\u00f3n con la carga y el tama\u00f1o. Posteriormente se ha llevado a cabo un estudio de la din\u00e1mica de fragmentaci\u00f3n de los agregados neutros mediante simulaciones basadas en la mec\u00e1nica estad\u00edstica. De esta forma, se han evaluado cu\u00e1les son los principales factores que influyen en la estabilidad y la fragmentaci\u00f3n de los peque\u00f1os agregados de carbono.  el principal problema en el estudio de los fullerenos radica en  el gran n\u00famero de is\u00f3meros que muestran. Para solventarlo, se ha propuesto una estrategia para seleccionar los conf\u00f3rmeros m\u00e1s estables que provienen de la fragmentaci\u00f3n del c60. Posteriormente se ha llevado a cabo un estudio sistem\u00e1tico de la estructura de las especies neutras y cargadas positivamente con tama\u00f1os entre 50 y 60 \u00e1tomos y de fullerenos altamente cargados (c60q+ y c58q+). Se han evaluado las energ\u00edas de disociaci\u00f3n y los potenciales de ionizaci\u00f3n en funci\u00f3n del tama\u00f1o y de la carga del fullereno. Se ha estimado a su vez el l\u00edmite coulombiano del c60, es decir, la carga mayor que puede soportar dicho agregado sin fragmentarse espont\u00e1neamente. Finalmente se ha estudiado en detalle la estructura de los fullerenos generados, mediante evaporaci\u00f3n de c2 y los factores que influyen en la estabilidad de los diferentes is\u00f3meros. El an\u00e1lisis de los resultados de estru<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Structure and fragmentacion of neutral and positively charged carbon clusters and fullerenes<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Structure and fragmentacion of neutral and positively charged carbon clusters and fullerenes <\/li>\n<li><strong>Autor:<\/strong>\u00a0  Diaz Tendero Victoria Sergio <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Aut\u00f3noma de Madrid<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 08\/04\/2005<\/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>Manuel Alcami Pertejo<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: manuel Y\u00e1\u00f1ez montero <\/li>\n<li>Antonio Largo cabrerizo (vocal)<\/li>\n<li>henrik Cederquist (vocal)<\/li>\n<li>antoine Hervieux paul (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Diaz Tendero Victoria Sergio En esta tesis se presenta el estudio te\u00f3rico de la estructura y la [&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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