Now showing items 64-83 of 141

    First row transition metal carbenes: from supporting ligands to organic reactive fragments 

    Rodríguez Serrat, Mònica (Date of defense: 2019-09-27)

    In the last decades, carbenes have shown a huge potential and versatility in organometallic and organic chemistry. In each of these fields, first row transition metal chemistry is less developed than noble metal complexes. ...

    Funcions densitat i semblança molecular quàntica: nous desenvolupaments i aplicacions 

    Gironés Torrent, Xavier (Date of defense: 2002-05-10)

    La present tesi, tot i que emmarcada dins de la teoria de les Mesures Semblança Molecular Quántica (MQSM), es deriva en tres àmbits clarament definits:<br/>- La creació de Contorns Moleculars de IsoDensitat Electrònica ...

    Gold complexes based on (N,C) and (N,C,C) chelating ligands: ligand design and reactivity studies in cross-coupling catalysis 

    Font Rubio, Pau (Date of defense: 2023-10-06)

    Homogeneous reactions catalyzed by gold have mainly been developed in the past two decades, stemming from the proneness of Au(I) and Au(III) complexes to coordinate and activate carbon-carbon multiple bonds towards a ...

    Gold complexes for homogeneous cross-coupling catalysis and migratory insertion reactions 

    Serra Parareda, Jordi (Date of defense: 2018-06-21)

    Most of the different homogeneous reactions catalyzed by gold have been developed in the past fifteen years and stem from the ability of both Au(I) and Au(III) complexes to coordinate and activate multiple carbon-carbon ...

    High-valent iron complexes supported with tetradentate and pentadentate ligands based on the triazacyclononane scaffold 

    Sabeña Vila, Gerard (Date of defense: 2017-06-23)

    In this work we have prepared octahedral non - heme iron species in high oxidation states. Iron (IV) - oxo and iron (IV) - imido complexes based on triazacyclononane scaffold had been synthesised and all of them had been ...

    Hollow fiber liquid-phase microextraction in the determination of pharmaceuticals and personal care products 

    Sagristà i Puig, Ester (Date of defense: 2012-11-23)

    Extensive amounts of pharmaceuticals and personal care products (organic emerging pollutants) are introduced into the environment mainly through wastewater treatment plants discharges either effluent wastewater reaching ...

    Implementing amino acids in manganese-catalyzed biologically inspired oxidations: g-lactonization and ligand design 

    Vicens Serra, Laia (Date of defense: 2023-07-18)

    Most of the organic molecules used in chemical industry (and their synthetic precursors) contain oxygen atoms in their structure. One of the most convenient methods for the preparation of oxygenated compounds is the ...

    Influencia de la suplementación de antioxidantes y de la administración de enrofloxacina en la calidad y seguridad de la carne de ave 

    Carreras Ferrer, Irene (Date of defense: 2005-04-14)

    Los fenómenos oxidativos y en particular la oxidación lipídica son uno de los principales responsables de la pérdida de calidad en la carne y en los productos cárnicos. Como consecuencia de estos procesos se generan ...

    Índexos de localització i deslocalització derivats de la densitat bielectrònica: anàlisi i aplicacions en estructura molecular, reactivitat química i aromaticitat 

    Poater i Teixidor, Jordi (Date of defense: 2003-04-28)

    La present tesi doctoral s'emmarca dins el camp de la química teòrica i<br/>computacional. El primer objectiu, que va ser el de partida, consistia a veure si els índexos<br/>bielectrònics derivats de la teoria AIM podien ...

    KSL-W analogues, peptide conjugates and tryptophan-containing cyclic peptides with activity against plant pathogens 

    Camó Marín, Cristina (Date of defense: 2019-06-27)

    Plant diseases produced by bacteria are responsible for considerable economic losses. These phytopathologies are highly contagious and difficult to control. With this aim, we selected peptides reported as plant defense ...

    Macrocicles nitrogenats contenint unitats de ferrocè i llurs complexos de Pal·ladi(0). Estudi estructural i aplicacions en catàlisi 

    Pla i Quintana, Anna (Date of defense: 2004-11-23)

    La present tesi doctoral s'ha basat en la caracterització estructural i en l'estudi de les propietats catalítiques de nous complexos de pal·ladi(0) amb lligands olefínics contenint unitats de ferrocè. En una primera fase ...

    Macrocyclic chemistry. From anion recognition to the reactivity of their copper complexes 

    Arbusé Font, Arnau (Date of defense: 2020-11-12)

    Macrocyclic ligands and its complexes have been studied in a wide variety of fields, among them bioinorganic chemistry. In this work it is reported three studies of macrocyclic species under three points of view. Firstly, ...

    Managanese and dicopper complexes for bioinspired oxidation reactions: catalytic and mechanistic studies on C-H and C=C oxidations 

    Garcia Bosch, Isaac (Date of defense: 2011-12-20)

    Enzymes are high-weight molecules which catalyze most of the metabolic processes in living organisms. Very often, these proteins contain one or more 1st row transition metal ions in their active center (Fe, Cu, Co, Mn, Zn, ...

    Metalls de transició en la formació d'enllaços carboni-carboni: cicloaddicions [2+2+2] catalitzades per Rh(I) i acoblaments creuats catalitzats per Pd(0) i Ni(0) 

    Brun Massó, Sandra (Date of defense: 2012-04-27)

    Carbon-carbon bond formation reactions catalyzed by transition metals represent one of the most versatile and efficient strategies in organic synthesis. The catalytic transformations contribute to the development of ...

    Model aryl halide macrocyclic substrates for the elucidation of coinage metal catalysed cross-coupling reaction mechanism 

    Font Molins, Marc (Date of defense: 2015-02-13)

    Aryl-Cu(III) species have been often implicated as the intermediate species that operate Ullmann-type couplings. However, such species have long remained elusive and the fundamental pathways that govern Ullmann-type ...

    Modelling of potential energy surfaces for photochemistry: conical intersections and application to optical control 

    Ruiz-Barragán, Sergi (Date of defense: 2014-09-19)

    Conical Intersections (CI) are points in Potential Energy Surfaces (PES) of two or more states that have the same energy. They are fundamental to understand photo-chemical processes. These points are not isolated points, ...

    Multiscalar strategies for the characterization of engineered P450 enzymes 

    Soler i Parpal, Jordi (Date of defense: 2023-09-19)

    Enzymes are a type of proteins that help chemical reactions happen faster in living organisms. Scientists have been able to modify these enzymes using a technique called protein engineering, which allowed to increase the ...

    New carbocyclisations of polyunsaturated hydrazones catalysed by rhodium(I) 

    Torres Antón, Òscar (Date of defense: 2017-02-24)

    Some of the most powerful methods for synthesizing complex organic molecules with high levels of chemo-, diastereo- and enantioselectivity rely on metal carbene chemistry. These compounds are versatile reaction intermediates ...

    New manganese complexes with nitrogen donor ligands. Catalysts for oxidation reactions 

    Rich Masallera, Jordi (Date of defense: 2012-06-08)

    The catalytic asymmetric oxidation of alkenes has special interest from both industrial and academic points of view. For this reason, catalysts able to perform these reactions in a faster and more effective manner have ...

    New mono- and dinuclear ruthenium complexes containing the 3,5-bis(2-pyridyl)pyrazole ligand. Synthesis, characterization and applications 

    Sens Llorca, Cristina (Date of defense: 2005-03-17)

    Se han sintetizado dos nuevos complejos mononucleares de Ru, con formula [RuCl2(Hbpp)(dmso)2], a partir de la reacción entre [RuCl2(dmso)4] y Hbpp (3,5-bis(2-piridil)pirazola). El hecho que sólo tres de los seis posibles ...