Tesis doctoral de Sílvia Osuna Oliveras
Since the buckminster fullerene discovery in 1985, a huge interest for understanding the chemical reactivity as well as the chemical properties of fullerene compounds has been awakened. The exohedral functionalization of the archetypal compound c60 is nowadays considered to be quite well-established. Still, the research in this field is open as a wide variety of derivatives with intriguing potential applications have been synthesized. the thesis is divided into fifteen chapters that contain seven related publications. The first two studies are based on the diels-alder reaction involving the trimetallic nitride template (tnt) endohedral metallofullerenes x3n@c78, x = sc, y . This investigation project was basically motivated by the unclear evidence about the possible consequences of the x3n. The third study thoroughly describes the change on the exohedral functionalization upon noble gas encapsulation. In the fourth study included in this thesis, the performance of the oniom approach for studying cycloaddition reactions involving fullerene compounds is studied in detail. Results from the latter project are of interest for the following studies involving the 1,3-dipolar and the diels-alder cycloaddition reactions where the oniom strategy is employed. Finally, the last part of this thesis is based on the antioxidant properties of fullerene compounds, where the mechanism of action for the superoxide removal involving fullerene compounds is unraveled. The understanding of the sod removal mechanism could represent a big improvement to design new fullerene derivatives with higher antioxidant properties.
Datos académicos de la tesis doctoral «Theoretical studies of the exohedral reactivity of fullerene compounds«
- Título de la tesis: Theoretical studies of the exohedral reactivity of fullerene compounds
- Autor: Sílvia Osuna Oliveras
- Universidad: Girona
- Fecha de lectura de la tesis: 26/03/2010
Dirección y tribunal
- Director de la tesis
- Miquel Sol? Puig
- Tribunal
- Presidente del tribunal: fernando Langa de la puente
- Antonio Rodríguez fortea (vocal)
- michal Cyranski (vocal)
- carles Bo jane (vocal)