A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä
Energy-dependent timescales in the dissociation of diiodothiophene dication
Tekijät: Kukk Edwin, Pihlava Lassi, Kooser Kuno, Stråhlman Christian, Maclot Sylvain, Kivimäki Antti
Kustantaja: ROYAL SOC CHEMISTRY
Julkaisuvuosi: 2023
Journal: Physical Chemistry Chemical Physics
Tietokannassa oleva lehden nimi: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Lehden akronyymi: PHYS CHEM CHEM PHYS
Vuosikerta: 25
Numero: 7
Aloitussivu: 5795
Lopetussivu: 5807
Sivujen määrä: 13
ISSN: 1463-9076
eISSN: 1463-9084
DOI: https://doi.org/10.1039/d2cp05309h
Verkko-osoite: https://doi.org/10.1039/D2CP05309H
Rinnakkaistallenteen osoite: https://research.utu.fi/converis/portal/detail/Publication/178946725
Photodissociation molecular dynamics of gas-phase 2,5-diiodothiophene molecules was studied in an electron-energy-resolved electron-multi-ion coincidence experiment performed at the FinEstBeAMS beamline of MAX IV synchrotron. Following the photoionization of the iodine 4d subshell and the Auger decay, the dissociation landscape of the molecular dication was investigated as a function of the Auger electron energy. Concentrating on an major dissociation pathway, C4H2I2S2+ -> C4H2S+ + I+ + I, and accessing the timescales of the process via ion momentum correlation analysis, it was revealed how this three-body process changes depending on the available internal energy. Using a generalized secondary dissociation model, the process was shown to evolve from secondary dissociation regime towards concerted dissociation as the available energy increased, with the secondary dissociation time constant changing from 1.5 ps to 129 fs. The experimental results were compared with simulations using a stochastic charge-hopping molecular mechanics model. It represented the observed trend and also gave a fair quantitative agreement with the experiment.
Ladattava julkaisu This is an electronic reprint of the original article. |  |
