Two-Dimensional Spectroscopy of Extended Molecular Systems: Applications to Energy Transport and Relaxation in an alpha-Helix

Arend G. Dijkstra, Thomas L. C. Jansen, Jasper Knoester*

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

10 Citations (Scopus)
231 Downloads (Pure)

Abstract

A simulation study of the coupled dynamics of amide I and amide II vibrations in an a-helix dissolved in water shows that two-dimensional (2D) infrared spectroscopy may be used to disentangle the energy transport along the helix through each of these modes from the energy relaxation between them. Time scales for both types of processes are obtained. Using polarization-dependent 2D spectroscopy is an important ingredient in the method we propose. The method may also be applied to other two-band systems, both in the infrared (collective vibrations) and the visible (excitons) parts of the spectrum.

Original languageEnglish
Pages (from-to)7315-7320
Number of pages6
JournalThe Journal of Physical Chemistry A
Volume114
Issue number27
DOIs
Publication statusPublished - 15-Jul-2010

Keywords

  • AMIDE-I MODES
  • INFRARED-SPECTROSCOPY
  • VIBRATIONAL SPECTROSCOPY
  • ELECTRONIC SPECTROSCOPY
  • N-METHYLACETAMIDE
  • PEPTIDE HELICES
  • DYNAMICS
  • WATER
  • BAND
  • POLYPEPTIDE

Cite this