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Updated: Jul 23, 2025

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
Published on: August 6, 2018
Influence of Mode-Specific Excitation on the Nonadiabatic Dynamics of Methyl Nitrate (CH3ONO2)
Juanjuan Zhang1,2, Jiawei Peng1,3, Yifei Zhu1,2
1SCNU Environmental Research Institute, Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety & MOE Key Laboratory of Environmental Theoretical Chemistry, South China Normal University, Guangzhou 510006, China.
Abstract:
The impact of mode-specific vibrational excitations on initial-preparation conditions was studied by examining the excited-state population decay rates in the nonadiabatic dynamics of methyl nitrate (CH3ONO2). In particular, exciting a few specific modes by adding a single quantum of energy clearly decelerated the nonadiabatic dynamics population decay rates. The underlying reason for this slower population decay was explained by analyzing the profiles of the excited-state potential energy surfaces in the Franck-Condon regions and the topology of the S1/S0 conical intersection. This study not only provides physical insights into the key mechanisms controlling nonadiabatic dynamics but also shows the possibility of controlling nonadiabatic dynamics via mode-specific vibrational excitations.
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