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J Phys Chem A. 2016 Dec 01;120(47):9378-9389. doi: 10.1021/acs.jpca.6b07843. Epub 2016 Nov 18.

Combined Experimental and Theoretical Study of the Transient IR Spectroscopy of 7-Hydroxyquinoline in the First Electronically Excited Singlet State.

The journal of physical chemistry. A

Felix Hoffmann, Maria Ekimova, Gül Bekçioğlu-Neff, Erik T J Nibbering, Daniel Sebastiani

Affiliations

  1. Institut für Chemie, Martin-Luther-Universität Halle-Wittenberg , Von-Danckelmann-Platz 4, 06120 Halle (Saale), Germany.
  2. Max Born Institut für Nichtlineare Optik und Kurzzeitspektroskopie , Max Born Strasse 2A, 12489 Berlin, Germany.
  3. Physics Department, Freie Universität Berlin , Arnimallee 14, 14195 Berlin, Germany.

PMID: 27934323 DOI: 10.1021/acs.jpca.6b07843

Abstract

The photophysics of 7-hydroxyquinoline (7HQ) in protic media results from an interplay of acid-base chemistry, prompted by the effects of photoacidity of the hydroxyl group and photobasicity of the nitrogen atom in the quinoline aromatic system. With ultrafast IR spectroscopic measurements, we follow the proton transfer dynamics of 7HQ in its four possible charged forms in methanol solution. Using deuterated methanol as solvent, we determine deuteron transfer rates from the neutral to the zwitterionic form to be 330 ps, those from the cationic form to the zwitterionic form to be 170 ps, and those from the anionic form to the zwitterionic form to be 600 ps. We compare the observed IR-active fingerprint marker patterns in the electronic ground state and the first electronically excited

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