Active Role of Proton in Excited State Intramolecular Proton Transfer Reaction

Proton transfer is one of the most important elementary reactions in chemistry and biology. The role of proton in the course of proton transfer, whether it is active or passive, has been the subject of intense investigations. Here we demonstrate the active role of proton in the excited state intramo...

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Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2013-02, Vol.117 (7), p.1400-1405
Main Authors: Lee, Junghwa, Kim, Chul Hoon, Joo, Taiha
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Benzothiazoles - chemistry
Biology
Coherence
Deuterium
Exact sciences and technology
Excitation
Fluorescence and phosphorescence spectra
Fluorescence and phosphorescence
radiationless transitions, quenching (intersystem crossing, internal conversion)
Isotopes
Molecular properties and interactions with photons
Molecular Structure
Phenols - chemistry
Physical chemistry
Physics
Protons
Quinolines - chemistry
Spectroscopy, Fourier Transform Infrared
Uncertainty
Wave packets
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Summary:Proton transfer is one of the most important elementary reactions in chemistry and biology. The role of proton in the course of proton transfer, whether it is active or passive, has been the subject of intense investigations. Here we demonstrate the active role of proton in the excited state intramolecular proton transfer (ESIPT) of 10-hydroxybenzo[h]quinoline (HBQ). The ESIPT of HBQ proceeds in 12 ± 6 fs, and the rate is slowed down to 25 ± 5 fs for DBQ where the reactive hydrogen is replaced by deuterium. The results are consistent with the ballistic proton wave packet transfer within the experimental uncertainty. This ultrafast proton transfer leads to the coherent excitation of the vibrational modes of the product state. In contrast, ESIPT of 2-(2′-hydroxyphenyl)benzothiazole (HBT) is much slower at 62 fs and shows no isotope dependence implying complete passive role of the proton.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp311884b