Photophysics of the Trp-Gly Dipeptide: Role of Electron and Proton Transfer Processes for Efficient Excited-State Deactivation

Dorit Shemesh () and Wolfgang Domcke ()
Additional contact information
Dorit Shemesh: Technische Universität München, Lehrstuhl für Theoretische Chemie
Wolfgang Domcke: Technische Universität München, Lehrstuhl für Theoretische Chemie

A chapter in High Performance Computing in Science and Engineering, Garching/Munich 2009, 2010, pp 641-649 from Springer

Abstract: Abstract The excited-state potential-energy surfaces of the lowest-energy conformer of the tryptophan-glycine dipeptide have been investigated with ab initio electronic-structure methods. The calculations reveal a potentially very efficient excited-state deactivation mechanism via conical intersections of the excited states of the indole chromophore with locally-excited and charge-transfer states of the peptide backbone. These findings suggest that the excited-state lifetime of the lowest-energy conformer of the Trp-Gly dipeptide may be too short to allow the detection of a resonant two-photon ionization signal. It is proposed that the efficient excited-state deactivation enhances the photostability of the dipeptide.

Keywords: Conical Intersection; Lower Excited State; Vertical Excitation Energy; Phys Chem Chem Phys; Nonadiabatic Transition (search for similar items in EconPapers)
Date: 2010
References: Add references at CitEc
Citations:

There are no downloads for this item, see the EconPapers FAQ for hints about obtaining it.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-13872-0_53

Ordering information: This item can be ordered from
http://www.springer.com/9783642138720

DOI: 10.1007/978-3-642-13872-0_53

Access Statistics for this chapter

More chapters in Springer Books from Springer
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().