• Login
    View Item 
    •   DSpace Home
    • INVESTIGACIÓN ACADÉMICA
    • Facultad de Ciencias Exactas
    • FCE - Artículos de Revista
    • View Item
    •   DSpace Home
    • INVESTIGACIÓN ACADÉMICA
    • Facultad de Ciencias Exactas
    • FCE - Artículos de Revista
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Theoretical calculations of an osmium molecular switch

    Thumbnail
    View/Open
    Miranda Barrientos_Theoretical calculations of an osmium molecular switch_2013.pdf (420.9Kb)
    Date
    2013
    Author
    Miranda-Barrientos, Fernando
    Muñoz-Castro, Alvaro
    Arratia-Pérez, Ramiro
    Metadata
    Show full item record
    Abstract
    ABSTRACT We have investigated the molecular, electronic and optical properties of the [Os(tpy-py)2]2+ complex (tpy-py = 4'-(4-pyridyl)-2,2':6',2"-terpyridine) and its protonated derivative [Os(tpy-pyH)2]4+ through Density Functional Relativistic calculations including Scalar and Spin Orbit corrections. The molecular geometry of the parent complex is not strongly modified by the protonation at the basic nitrogen atoms of the pyridine moieties of the terpyridine ligands in the complex. On the other hand, the optical properties of these complexes can be controlled by a change in the chemical acid-base environment, converting them into suitable materials to act as molecular switches or pH sensor devices.
    URI
    http://repositorio.unab.cl/xmlui/handle/ria/2357
    Collections
    • FCE - Artículos de Revista

    DSpace software copyright © 2002-2016  DuraSpace
    Contact Us | Send Feedback
    Theme by 
    Atmire NV
     

     

    Documentos Trabajos de TitulaciónProcedimientos de publicaciónDerecho de autorGuía para Trabajos de Titulación pre y post gradoFormulario de AutorizaciónLogo Institucional

    Browse

    All of DSpaceCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsThis CollectionBy Issue DateAuthorsTitlesSubjects

    My Account

    LoginRegister

    Statistics

    View Usage Statistics

    DSpace software copyright © 2002-2016  DuraSpace
    Contact Us | Send Feedback
    Theme by 
    Atmire NV