Applications of supramolecular nanocapsules: regioselective functionalization of fullerenes and molecular recognition of endohedral metallofullerenes 

    Pujals Crusat, Míriam (Date of defense: 2024-06-14)

    Since the discovery of fullerenes and endohedral metallofullerenes (EMFs), these spheroidal carbon cages have attracted the attention of the scientific community due to their exceptional electronic and physicochemical ...

    Bioinspired ligands and model substrates for the mechanistic elucidation of oxygen activation and cross-coupling reactions mediated by first-row transition metals 

    Magallón Gubau, Carla (Date of defense: 2022-05-16)

    Nowadays, one of the main goals in organic chemistry and fine industry is the development of new synthetic methodologies for the preparation of life-relevant products in a sustainable manner. The use of first-row ...

    Bioinspired metal-based oxidants: selectivity in catalytic hydroxylation of aliphatic C-H bonds and insight into the reactivity of oxoiron species 

    Dantignana, Valeria (Date of defense: 2020-12-03)

    Selective oxidation of C-H bonds is an important reaction, as it can disclose novel synthetic strategies to get functionalized products through efficient paths. Nonetheless, due to the inert character of C-H bonds, the use ...

    Carboxylic acids as directing groups for intramolecular catalytic oxidation of unactivated C(sp3)-H bonds with bioinspired catalysts 

    Cianfanelli, Marco (Date of defense: 2021-12-03)

    In this thesis we developed a protocol for the intramolecular oxidation of prochiral secondary C-H bonds in which carboxylic acids, acting as directing groups for the oxidant species, promoted a highly site-selective and ...

    Computational mechanistic studies of C-H and C-X activated organometallic species with first-row transition metals 

    Roldán Gómez, Steven (Date of defense: 2020-01-14)

    During the last decades, computational chemistry has become a resourceful tool in the quest to understand and predict the mechanism and the reactivity of chemical systems. This is especially true in the area of ...

    Development of highly structured non-heme iron catalysts for selective C-H group oxidations 

    Canta i Roldós, Mercè (Date of defense: 2014-07-29)

    Catalytic oxidation reactions of hydrocarbons that occur in the active site of metalloenzymes exhibit high efficiency and exquisite regio- and stereoselectivity under mild experimental conditions. We describe the efficient ...

    Development of structurally and electronally versatile aminopyridine cobalt complexes for photo-(electro) reduction of water and ketones 

    Call Quintana, Arnau (Date of defense: 2016-12-13)

    The increasing need for more efficient synthetic methods and sustainable processes for fuel and high-value organic molecules production can be seen as one of the major challenging goals for the future. Nature has developed ...

    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 ...

    Highly enantioselective epoxidation with hydrogen peroxide and biologically inspired iron and manganese catalysts 

    Cussó Forest, Olaf (Date of defense: 2016-06-20)

    Asymmetric epoxidation is one of the most important reactions in synthetic organic chemistry, because chiral epoxides act as versatile electrophiles which can be converted in a number of interesting and useful chiral ...

    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 ...

    Iron and iridium molecular complex for water oxidation catalysis 

    Codolà Duch, Zoel (Date of defense: 2014-07-11)

    Harness light from the sun is one of the 21st century’s major goals towards the substitution of fossil fuels for a renewable source of energy. Sustainable production of highly energetic molecules using sunlight as energy ...

    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 ...

    Synthesis and applications of large supramolecular nanocapsules: matryoshka-type masks, higher fullerene C84 purification and stabilization of metallic clusters and sub-nanoparticles 

    Ubasart Clarà, Ernest (Date of defense: 2022-10-28)

    The development of supramolecular assemblies with big cavities is important to recognize specific guests or infer a chemo- or regioselective chemistry, in analogy to natural enzymes. The objective of this thesis was to ...

    Synthesis of molecular nanocapsules for supramolecular host-guest chemistry and enzyme-like catalysis 

    García Simón, Cristina (Date of defense: 2015-04-10)

    Coordination-driven self-assembly has led to the realization of an increasing number of elegant and sophisticated functional structures, the structural complexity of which would be difficult to achieve using conventional ...