Following the excited state relaxation dynamics of indole and 5-hydroxyindole using time-resolved photoelectron spectroscopy

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DOIResolve DOI: http://doi.org/10.1063/1.3659231
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TypeArticle
Journal titleThe Journal of Chemical Physics
Volume135
Issue19
Pages194307-1194307-12; # of pages: 12
Subjectab initio calculations; coupled cluster calculations; dark states; excited states; molecule-photon collisions; multiphoton processes; organic compounds; photoexcitation; SCF calculations; time resolved spectra; ultraviolet photoelectron spectra
AbstractTime-resolved photoelectron spectroscopy was used to obtain new information about the dynamics of electronic relaxation in gas-phase indole and 5-hydroxyindole following UV excitation with femtosecond laser pulses centred at 249 nm and 273 nm. Our analysis of the data was supported by ab initio calculations at the coupled cluster and complete-active-space self-consistent-field levels. The optically bright 1La and 1Lb electronic states of 1ππ* character and spectroscopically dark and dissociative 1πσ* states were all found to play a role in the overall relaxation process. In both molecules we conclude that the initially excited 1La state decays non-adiabatically on a sub 100 fs timescale via two competing pathways, populating either the subsequently long-lived 1Lb state or the 1πσ* state localised along the N-H coordinate, which exhibits a lifetime on the order of 1 ps. In the case of 5-hydroxyindole, we conclude that the 1πσ* state localised along the O-H coordinate plays little or no role in the relaxation dynamics at the two excitation wavelengths studied.
Publication date
LanguageEnglish
AffiliationNRC Steacie Institute for Molecular Sciences; National Research Council Canada
Peer reviewedYes
NPARC number19739651
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Record identifier155cbd71-0ffd-48c5-a850-18d1fadbef73
Record created2012-04-02
Record modified2017-03-23
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