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Updated: Sep 24, 2025

Ultrafast Time-resolved Near-IR Stimulated Raman Measurements of Functional π-conjugate Systems
Published on: February 10, 2020
Role of electron in intramolecular vibrational energy redistribution: a simulation of time- and frequency-resolved
Zanhao Wang1, Honglin Wu2, Xiaosong Liu1
1Department of Physics, Harbin Institute of Technology Harbin 150001 P. R. China yqyang@hit.edu.cn.
Abstract:
A coupled oscillator model with special attention to the electron is employed to simulate the time- and frequency-resolved coherent anti-Stokes Raman scattering (TFR-CARS) spectrum of benzene, where the electronic contribution is introduced as an oscillator as well as molecular vibration, and both the coupling between molecular vibrations and the coupling between electron and molecular vibration are involved. Through the simulation, the intramolecular vibrational energy redistribution (IVR) process is confirmed to occur more readily between the molecular vibrations with the same vibrational symmetry. Moreover, it is found that the electron plays a mediator role in the IVR process, and the coupling between electron and molecular vibration significantly increases the intramolecular vibrational energy transfer efficiency.
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