Tesis doctoral de Juan Manuel Ortiz Sánchez
Hydrogen bonds are of universal importance in chemistry and biochemistry. The properties of hydrogen bonds in the electronic ground state have been investigated since long ago. Nevertheless, much less is known about the chemical reactions involving hydrogen bonds in excited electronic states. One of the most interesting reactions are the excited state intramolecular proton transfer (esipt) processes, as they play a crucial role in a plethora of photochemical reactions of chemical and biochemical relevance. the most modern kinetic experimental techniques available today, allow the monitoring of esipt processes up to the order of the femtosecond. However, the experimental results are usually difficult to analyze, specially when competitive processes are involved. Those additional processes suppose an extra challenge in the study of this topic. In this sense, theoretical and computational chemistry represents a powerful tool of interpretation, given the absolute control that researchers can impose on modelized isolated systems. the molecular systems collected in the present thesis represent direct examples of the different orders of complexity that the theoretical study (both from the electronic and dynamical points of view) of esipt can represent: from the comprehension of the essentials of the process, to the need of adoption of efficient theoretical strategies to treat the presence of non adiabatic processes.
Datos académicos de la tesis doctoral «Excited state intramolecular proton transfer reactions coupled with non adiabatic processes: electronic structure and quantum dynamical approach«
- Título de la tesis: Excited state intramolecular proton transfer reactions coupled with non adiabatic processes: electronic structure and quantum dynamical approach
- Autor: Juan Manuel Ortiz Sánchez
- Universidad: Autónoma de barcelona
- Fecha de lectura de la tesis: 26/11/2009
Dirección y tribunal
- Director de la tesis
- Miquel Moreno Ferrer
- Tribunal
- Presidente del tribunal: angels González lafont
- marcin Ziolek (vocal)
- (vocal)
- (vocal)