Now showing items 27-46 of 46

    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 ...

    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 challenges in Rh(I)-catalysed [2+2+2] cycloaddition reactions 

    Fernández Wang, Martí (Date of defense: 2017-07-20)

    This doctoral thesis studies the involvement of challenging unsaturated substrates in the transition-metal catalysed [2+2+2] cycloaddition reaction, as well as new catalytic systems for the reaction. First, Morita-Baylis-Hillman ...

    Nous formats en la comunicació de la química. Explorant el seu paper en el foment de la cultura i les vocacions científiques 

    Vieta i Corcoy, Pep Anton (Date of defense: 2017-02-07)

    Throughout this thesis I was involved in different science communication projects where research and innovation have been applied to improve existing proposals and exploring new formats without forget the evaluation of the ...

    On the use of energy decomposition analyses to unravel the origin of the relative stabilities of isomers 

    El Hamdi Lahfid, Majid (Date of defense: 2013-10-15)

    Structural isomers are molecules that have the same number and type of atoms but arranged in different manner. The isomerization energy is the energy difference between two isomers, i.e. the energy cost corresponding to ...

    Rational design of bioinspired iron and manganese catalysts for the effective and selective epoxidation of alkenes and oxidation of alkanes 

    Clarasó Petit, Carlota (Date of defense: 2019-02-08)

    Metalloenzymes are a fundamental source of inspiration for synthetic chemists. Oxidation metalloenzymes catalyze oxidation reactions with high efficiency under very mild experimental conditions exhibiting exquisite regio- ...

    Reaction mechanisms involved in cross coupling processes catalysed by copper and nickel 

    Rovira Coll, Mireia (Date of defense: 2017-03-10)

    Organometallic aryl-CuIII species have been proposed as key intermediates in Ullmann-type reactions. However, such species have long remained elusive and mechanistic investigations of a plausible catalytic cycle remained ...

    Reactivity of fullerenes, endohedral metallofullerenes, and nanotubes, and their possible application in solar energy conversion 

    Martínez López, Juan Pablo (Date of defense: 2016-11-18)

    The physical and chemical properties of fullerenes and nanotubes can be conveniently tuned by the attachment of different functional groups to them. Therefore, the systematic understanding of different problems such as ...

    Rhodium-catalysed [2+2+2] cycloaddition reactions for the preparation of highly functionalised cyclic compounds 

    Cassú Ponsatí, Daniel (Date of defense: 2018-04-20)

    Transition metal-catalysed [2+2+2] cycloaddition reactions involving unsaturated substrates represent one of the most elegant methods in organic chemistry to prepare functionalised cyclic compound. This doctoral thesis is ...

    Rhodium-catalyzed cyclization reactions of 1,5-bisallenes involving alkenes and alkynes: experimental and theoretical studies 

    Vila Vadrí, Jordi (Date of defense: 2023-04-21)

    The development of novel catalytic methodologies involving the formation of carbon – carbon/heteroatom bonds to produce cyclic systems constitutes a field of great interest in the modern synthetic organic chemistry. Over ...

    Structure and hydrogen dynamic behavior in proton sponge cations and organometallic complexes 

    Horbatenko, Yevhen (Date of defense: 2013-12-13)

    This thesis focuses on the study of hydrogen dynamic behavior in a series of proton sponge cations as well as in bis(silyl)hydride organometallic complexes. To understand the dynamic behavior, a new tool, i.e. the ...

    Structure and reactivity of endohedral (metallo)fullerenes 

    García Borràs, Marc (Date of defense: 2015-05-29)

    It all started in 1985, when Kroto, Smalley and Curl discovered by serendipity a new carbon allotrope. They synthesized for the first time the C60 molecule, and named it as ”Buckminsterfullerene”, because of the similarity ...

    Supramolecular nanocapsules as platforms for molecular recognition and reactivity in confined spaces 

    Fuertes Espinosa, Carles (Date of defense: 2020-07-23)

    The use of self-assembly to bring simple building blocks together into complex product, has led to the preparation of an increasing number of sophisticated and functional 3D supramolecular nanocapsules. By understanding ...

    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 ...

    Theoretical study of water oxidation and reduction mechanisms by aminopyridine first row transition metal catalysts 

    Acuña-Parés, Ferran (Date of defense: 2016-07-20)

    One of the major current scientific goals is the development of renewable energy sources. An effective alternative to fossil fuels consists in the conversion of the sunlight energy into chemical fuels. The molecular hydrogen ...