Pulsed-field ionization photoelectron and IR-UV resonant photoionization spectroscopy of Al-thymine

Serge A. Krasnokutski, Yuxiu Lei, Jung Sup Lee, Dong Sheng Yang

Research output: Contribution to journalArticlepeer-review

11 Scopus citations


Al-thymine (Al- C4 H3 N2 O2 CH3) is produced by laser vaporization of a rod made of Al and thymine powders in a molecular beam and studied by single-photon pulsed-field ionization-zero electron kinetic energy (ZEKE) photoelectron and IR-UV resonant two-photon ionization spectroscopy and density functional theory calculations. The ZEKE experiment determines the adiabatic ionization energy of the neutral complex and 22 vibrational modes for the corresponding ion with frequencies below 2000 cm-1. The IR-UV photoionization experiment measures two N-H and three C-H stretches for the neutral species. The theoretical calculations predict a number of low-energy isomers with Al binding to single oxygen or adjacent oxygen and nitrogen atoms of thymine. Among these isomers, the structure with Al binding to the O4 atom of the diketo tautomer is predicted to be the most stable one by the theory and is probed by both ZEKE and IR-UV measurements. This work presents the first application of the IR-UV resonant ionization to metal-organic molecule systems. Like ZEKE spectroscopy, the IR-UV photoionization technique is sensitive for identifying isomeric structures of metal association complexes.

Original languageEnglish
Article number124309
JournalJournal of Chemical Physics
Issue number12
StatePublished - 2008

Bibliographical note

Funding Information:
We are grateful for the financial support from the Experimental Physical Chemistry Program of the National Science Foundation. We also acknowledge additional support from donors of the Petroleum Research Fund of the American Chemical Society and Kentucky Science and Engineering Foundation.

ASJC Scopus subject areas

  • Physics and Astronomy (all)
  • Physical and Theoretical Chemistry


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