Ultrafast electronic relaxations from the S3 state of pyrene - Archive ouverte HAL Access content directly
Journal Articles Physical Chemistry Chemical Physics Year : 2019

Ultrafast electronic relaxations from the S3 state of pyrene

(1, 2) , (1) , (3) , (3) , (4) , (1) , (5) , (3)
1
2
3
4
5

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.
Fichier principal
Vignette du fichier
2019_pyrene_HAL.pdf (7.31 Mo) Télécharger le fichier
Origin : Files produced by the author(s)

Dates and versions

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

Identifiers

Cite

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⟩
132 View
4 Download

Altmetric

Share

Gmail Facebook Twitter LinkedIn More