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Journal Articles Physical Chemistry Chemical Physics Year : 2019

Ultrafast electronic relaxations from the S3 state of pyrene


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.


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hal-02073683 , version 1 (30-08-2022)



Jennifer A. Noble, Christian Aupetit, Dominique Descamps, Stephane Petit, Aude Simon, et al.. Ultrafast electronic relaxations from the S3 state of pyrene. Physical Chemistry Chemical Physics, 2019, 21 (26), pp.14111-14125. ⟨10.1039/C8CP06895J⟩. ⟨hal-02073683⟩
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