First Principles Study of Photostability Within Hydrogen-Bonded Amino Acids
Authors
Marazzi, Marco Dino Maurizio; Sancho Rey, Unai Daniel; Castaño González, Obis Dionisio; Frutos Gaite, Luis ManuelIdentifiers
Permanent link (URI): http://hdl.handle.net/10017/59432DOI: 10.1039/C0CP02554B
ISSN: 1463-9076
Date
2011-01-20Affiliation
Universidad de Alcalá. Departamento de Química Analítica, Química Física e Ingeniería QuímicaFunders
Ministerio de Ciencia e Innovación
Bibliographic citation
Physical Chemistry Chemical Physics, 2011, v. 13, n. 17, p. 7805-7811
Project
info:eu-repo/grantAgreement/MICINN//CTQ2009- 07120/ES/
Document type
info:eu-repo/semantics/article
Version
info:eu-repo/semantics/aceptedVersion
Rights
Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)
© Royal Society of Chemistry, 2011
Access rights
info:eu-repo/semantics/openAccess
Abstract
The photochemistry and photophysics of a two-glycine minimal model is studied at the CASPT2//CASSCF level of theory. Different photoinduced processes are discussed, on the basis of the calculated minimum energy paths and the characterization of the electronic state crossings. Two main processes could provide UV-photostability to the hydrogen-bonded peptide system: (i) forward?backward photoinduced electron/proton transfer involving the H in the hydrogen bond, (ii) singlet?singlet energy transfer between two amino acids, providing ultrafast population of the low-energy n,?* state.
Files in this item
Files | Size | Format |
|
---|---|---|---|
First_Marazzi_PhysChem_2011.pdf | 789.5Kb |
|
Files | Size | Format |
|
---|---|---|---|
First_Marazzi_PhysChem_2011.pdf | 789.5Kb |
|
Collections
- QUANING - Artículos [367]