Browsing Departament de Química by Title

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- ...

Reaccions de cicloaddició [2+2+2] catalitzades per Rh(I)

Garcia López, Lídia (Date of defense: 2012-02-24)

The development of new chemical processes and efficient catalysts for the formation of carbon-carbon bonds is an important topic in organic chemistry. In particular, the [2+2+2] cycloaddition reaction involving different ...

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 ...

Reactivity of well-defined organometallic copper(III) complexes in carbon-heteroatom bond forming reactions

Casitas Montero, Alícia (Date of defense: 2012-06-01)

This thesis is focused on the unexplored field of organometallic copper(III) chemistry. Arylcopper(III) complexes have been proposed as key intermediates in Ullmann condensation reactions that consist in the coupling of ...

Reduced density matrices: development and chemical applications

Rodríguez Mayorga, Mauricio (Date of defense: 2018-07-24)

In this thesis, we focused on the alternative methodologies that are based on the reconstruction of density matrices. While in DFT several benchmarks can be found in the literature, for the rest of alternative methodologies ...

Removal of pharmaceuticals in wastewater combining different treatment technologies: suspect screening identification and risk assessment of transformation products

Jaén Gil, Adrián (Date of defense: 2021-05-28)

The low efficiency of wastewater treatment plants to achieve the complete removal of micropollutants, including pharmaceuticals, has motivated the development of alternative water technologies to improve their efficiency, ...

Rhodium(I) catalyzed [2+2+2] cycloaddition reactions: experimental and theoretical studies

Dachs Soler, Anna (Date of defense: 2011-07-29)

The [2+2+2] cycloaddition reaction involves the formation of three carbon-carbon bonds in one single step using alkynes, alkenes, nitriles, carbonyls and other unsaturated reagents as reactants. This is one of the most ...

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 ...

Selenium cycling in volcanic environments: the role of soils as reactive interfaces

Floor, Geerke Henriette (Date of defense: 2011-03-29)

Selenium (Se) is an element with important health implications that is emitted in significant amounts from volcanoes. Attracted by the fertility of volcanic soils, around 10% of the world population lives within 100 km of ...

Single and multiple addition to C60. A computational chemistry study

Cases Amat, Montserrat (Date of defense: 2003-09-30)

Des del seu descobriment, a la molècula C60 se li coneixen una varietat de derivats segons el tipus de funcionalització amb propietats fisicoquímiques específiques de gran interès científic. Una sel·lecció de derivats ...

Síntesi de 1-oxaspiro [4.4]nonans polifuncionalitzats i (+-)-andirolactona

Planas i Grabuleda, Marta (Date of defense: 1996-03-15)

Spiro-γ-lactones are widely distributed among natural products, several of them being well known by their interesting biological activities. We describe herein the synthesis of 1-oxaspiro[4.4]nonan derivatives and ...

Síntesi de base sòlida de pèptids biarílics contenint 5-arilhistidines

Cerezo Frias, Vanessa (Date of defense: 2009-05-28)

Els aminoàcids biarílics es troben en una àmplia varietat de pèptids naturals amb important activitat biològica. Concretament, les arilhistidines formen part de les aciculitines, pèptids amb activitat citotòxica i antifúngica, ...

Síntesi de lipopèptids i de pèptids conjugats derivats de BP100. Caracterització estructural de lipopèptids lineals i cíclics

Oliveras Rovira, Àngel (Date of defense: 2020-10-27)

Nowadays, around a third of the agricultural production is lost due to the damage caused by pests, resulting in a significant economic impact. It is estimated that about a third of these losses are provoked by phytopathogens. ...

Síntesi de nous complexos de Coure i Ruteni amb lligands de tipus tri-N-dentats: estudi de les seves propietats magnètiques i/o electroquímiques

Rodríguez Pizarro, Montserrat (Date of defense: 2000-06-20)

This doctoral dissertation is divided in two different parts. The first one deals with copper complexes and their magnetic properties. The second one describes the synthesis and characterization of a new family of ruthenium ...