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Ultrafast electronic relaxations from the S 3 state of pyrene

Abstract : The ultrafast relaxation occurring in pyrene upon excitation at 4.68 eV was studied in a supersonic gas-jet fs pump-probe experiment. Mass spectrometry and velocity map imaging of photoelectrons produced by probing via multiphoton ionisation at 800 nm reveal that the initially prepared wave packet exhibits a fast relaxation (¡80 fs), followed by a slower one of 200 fs. By comparing the propensity rules of photoionisation observed at one color with ab initio calculations, we tentatively assign these two timescales to a first internal conversion to the dark bB 3g state followed by a second one to the long lived aB 2u first excited state. Vertical excitation energies determined using ab initio Multi-State Complete Active Space 2nd order Perturbation Theory (MS-CASPT2), as well as oscillator strengths between several electronic states, are reported.
Keywords : femtochimie PAH
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https://hal.archives-ouvertes.fr/hal-02073683
Contributor : Valerie Blanchet <>
Submitted on : Wednesday, March 20, 2019 - 10:24:16 AM
Last modification on : Tuesday, April 27, 2021 - 3:15:39 AM

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Jennifer Noble, Christian Aupetit, Dominique Descamps, Stephane Petit, Aude Simon, et al.. Ultrafast electronic relaxations from the S 3 state of pyrene. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2019, 21 (26), pp.14111-14125. ⟨10.1039/C8CP06895J⟩. ⟨hal-02073683⟩

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