Vibrationally resolved photoelectron spectroscopy of electronic excited states of DNA bases : Application to the à state of thymine cation

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

11 Scopus Citations
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Author(s)

  • Majdi Hochlaf
  • Yi Pan
  • Youssef Majdi
  • Lionel Poisson
  • Gustavo A. Garcia
  • Laurent Nahon
  • Muneerah Mogren Al Mogren
  • Martin Schwell

Detail(s)

Original languageEnglish
Pages (from-to)1146-1153
Journal / PublicationJournal of Physical Chemistry A
Volume119
Issue number7
Online published22 Jan 2015
Publication statusPublished - 19 Feb 2015

Abstract

For fully understanding the light-molecule interaction dynamics at short time scales, recent theoretical and experimental studies proved the importance of accurate characterizations not only of the ground (D0) but also of the electronic excited states (e.g., D1) of molecules. While ground state investigations are currently straightforward, those of electronic excited states are not. Here, we characterized the à electronic state of ionic thymine (T+) DNA base using explicitly correlated coupled cluster ab initio methods and state-of-the-art synchrotron-based electron/ion coincidence techniques. The experimental spectrum is composed of rich and long vibrational progressions corresponding to the population of the low frequency modes of T+(Ã). This work challenges previous numerous works carried out on DNA bases using common synchrotron and VUV-based photoelectron spectroscopies. We provide hence a powerful theoretical and experimental framework to study the electronic structure of ionized DNA bases that could be generalized to other medium-sized biologically relevant systems.

Citation Format(s)

Vibrationally resolved photoelectron spectroscopy of electronic excited states of DNA bases : Application to the à state of thymine cation. / Hochlaf, Majdi; Pan, Yi; Lau, Kai-Chung; Majdi, Youssef; Poisson, Lionel; Garcia, Gustavo A.; Nahon, Laurent; Al Mogren, Muneerah Mogren; Schwell, Martin.

In: Journal of Physical Chemistry A, Vol. 119, No. 7, 19.02.2015, p. 1146-1153.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review