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Title: Excited-state dynamics of CH2I2 and CH2IBr studied with UV-pump VUV-probe momentum-resolved photoion spectroscopy

Abstract

We perform time-resolved ionization spectroscopy measurements of the excited state dynamics of CH2I2 and CH2IBr following photoexcitation in the deep UV. The fragment ions produced by ionization with a vacuum-ultraviolet probe pulse are measured with velocity map imaging, and the momentum resolved yields are compared with trajectory surface hopping calculations of the measurement observable. Together with recent time-resolved photoelectron spectroscopy measurements of the same dynamics, these results provide a detailed picture of the coupled electronic and nuclear dynamics involved. Overall, our measurements highlight the non-adiabatic coupling between electronic states, which leads to notable differences in the dissociation dynamics for the two molecules.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [1]
  1. State Univ. of New York (SUNY), Albany, NY (United States). Dept. of Physics and Astronomy
  2. Wigner Research Centre for Physics, Budapest (Hungary); Research Center for Natural Sciences, Budapest (Hungary)
  3. Univ. of Vienna (Austria). Faculty of Chemistry. Inst. of Theoretical Chemistry; Univ. of Vienna (Austria). Vienna Research Platform on Accelerating Photoreaction Discovery; Univ. of Vienna (Austria). Faculty of Chemistry. Data Science @ Uni Vienna
Publication Date:
Research Org.:
State Univ. of New York (SUNY), Albany, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC); National Science Foundation (NSF); European Regional Development Fund
OSTI Identifier:
1849850
Alternate Identifier(s):
OSTI ID: 1708959
Grant/Contract Number:  
FG02-08ER15984; 1806294; VEKOP-2.3.2-16-2017-00015; EFG02-08ER15984
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 153; Journal Issue: 18; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; Chemistry; physics; quantum chemical dynamics; photoexcitations; vacuum ultraviolet radiation; potential energy surfaces; velocity map imaging; spectroscopy; surface hopping

Citation Formats

Liu, Yusong, Rozgonyi, Tamás, Marquetand, Philipp, and Weinacht, Thomas. Excited-state dynamics of CH2I2 and CH2IBr studied with UV-pump VUV-probe momentum-resolved photoion spectroscopy. United States: N. p., 2020. Web. doi:10.1063/5.0026177.
Liu, Yusong, Rozgonyi, Tamás, Marquetand, Philipp, & Weinacht, Thomas. Excited-state dynamics of CH2I2 and CH2IBr studied with UV-pump VUV-probe momentum-resolved photoion spectroscopy. United States. https://doi.org/10.1063/5.0026177
Liu, Yusong, Rozgonyi, Tamás, Marquetand, Philipp, and Weinacht, Thomas. Tue . "Excited-state dynamics of CH2I2 and CH2IBr studied with UV-pump VUV-probe momentum-resolved photoion spectroscopy". United States. https://doi.org/10.1063/5.0026177. https://www.osti.gov/servlets/purl/1849850.
@article{osti_1849850,
title = {Excited-state dynamics of CH2I2 and CH2IBr studied with UV-pump VUV-probe momentum-resolved photoion spectroscopy},
author = {Liu, Yusong and Rozgonyi, Tamás and Marquetand, Philipp and Weinacht, Thomas},
abstractNote = {We perform time-resolved ionization spectroscopy measurements of the excited state dynamics of CH2I2 and CH2IBr following photoexcitation in the deep UV. The fragment ions produced by ionization with a vacuum-ultraviolet probe pulse are measured with velocity map imaging, and the momentum resolved yields are compared with trajectory surface hopping calculations of the measurement observable. Together with recent time-resolved photoelectron spectroscopy measurements of the same dynamics, these results provide a detailed picture of the coupled electronic and nuclear dynamics involved. Overall, our measurements highlight the non-adiabatic coupling between electronic states, which leads to notable differences in the dissociation dynamics for the two molecules.},
doi = {10.1063/5.0026177},
journal = {Journal of Chemical Physics},
number = 18,
volume = 153,
place = {United States},
year = {Tue Nov 10 00:00:00 EST 2020},
month = {Tue Nov 10 00:00:00 EST 2020}
}

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