Dynamics of excited-state proton transfer systems via time-resolved photoelectron spectroscopy

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DOIResolve DOI: http://doi.org/10.1063/1.1345876
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TypeArticle
Journal titleThe Journal Of Chemical Physics
Volume114
Issue6
Pages25192522; # of pages: 4
Subjectab initio calculations; chemical exchanges; excited states; isomerisation; nonradiative transitions; organic compounds; photoelectron spectra; time resolved spectra
AbstractWe investigate the applicability of time-resolved photoelectron spectroscopy to excited state intramolecular proton transfer (ESIPT) and internal conversion dynamics in the model system o-hydroxybenzaldehyde (OHBA) and related compounds. Photoelectron spectra of both the excited state enol and keto tautomers were obtained as a function of pump laser wavelength and pump-probe time delay. The ESIPT was found to occur in less than 50 fs over the whole absorption range of the S1(pipi*) state for both OHBA and its monodeuterated analog, suggestive of a small or nonexistent barrier. The subsequent keto internal conversion rate in OHBA varies from 0.63 to 0.17 ps–1 over the S1(pipi*) absorption band and the OD-deuterated analog shows no significant isotope effect. Based upon ab initio calculations and comparison with the two-ring analog, 1-hydroxy-2-acetonaphthone (HAN), we suggest that the internal conversion dynamics in OHBA is influenced by interactions with a close-lying npi* state.
Publication date
PublisherAIP Publishing
LanguageEnglish
AffiliationNational Research Council Canada; NRC Steacie Institute for Molecular Sciences
Peer reviewedYes
NPARC number12339261
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Record identifieraaa88659-1e8e-4369-889c-2102f1b366ba
Record created2009-09-11
Record modified2016-05-09
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