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Photodissociation Dynamics of Ortho and Meta Fluorophenols: The Origin of Fast Protons

preprint
revised on 14.08.2020, 06:11 and posted on 14.08.2020, 07:34 by xinli song, Josene Toldo, Carlos E. V. de Moura, Ying Tang, Bing Zhang, Mario Barbatti
A recent experimental study with time-resolved velocity map imaging demonstrated that the total kinetic energy release spectra obtained from photodissociation of ortho and meta fluorophenols have distinct features after excitation into the origin of the S1 state. A peak at 6000 cm-1 was observed for both molecules, while another at 13000 cm-1 dominates the spectrum of ortho-fluorophenol. The peak at 6000 cm‑1 was assigned to H tunneling. Nevertheless, the 13000 cm-1 feature remains unassigned. In this work, we performed a theoretical analysis, investigating two hypotheses for explaining the 13000 cm‑1 signal. The first hypothesis is that it is due to one-photon absorption followed by ionization through resonant multiphoton dissociation. The second hypothesis is that the signal is due to two-photon absorption into a superexcited state, which dissociates yielding an H atom. We discuss the pros and cons of each hypothesis, laying the groundwork for future experiments.

Funding

National Key Research and Development Program of China 2019YFA0307700

National Natural Science Foundation of China 21503270, and 11574351, 11774385, 21773299, 11974381, 11674355, 21573279, 21873114

ANR Equip@Meso (ANR-10-EQPX-29-01)

FetOpen grant BoostCrop (Grant agreement 828753)

ANR PRC WSPLIT (ANR-17-CE05-0005-01)

History

Email Address of Submitting Author

mario.barbatti@univ-amu.fr

Institution

Aix Marseille University, CNRS, ICR

Country

France

ORCID For Submitting Author

0000-0001-9336-6607

Declaration of Conflict of Interest

No conflict of interest.

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