Abstract
Vibrations of m-bromofluorobenzene (m-BrFPh) in the first excited state (S1) and the cationic ground state (D0) are investigated by resonance-enhanced multiphoton ionization (REMPI) spectroscopy and slow electron velocity-map imaging (SEVI) spectroscopy, respectively. Quantum chemical calculations have been adopted to assign the observed vibrational bands, as well. The band origin of the S1 ← S0 electronic transition defines the adiabatic excitation energy to be 36,987 ± 4 cm−1 based on the resonance-enhanced one-color two-photon ionization spectrum of m-BrFPh. And adiabatic ionization potential (IP) of 73,903 ± 8 cm−1 is determined from band origin in the SEVI spectra. Meanwhile, the computed frequencies are in excellent agreement with the experimental observations and Franck-Condon simulations are performed to aid us to confidently assign major vibrational modes in S1 and D0 states. And the changes in the wavenumber of the vibrational modes upon S1 ← S0 and D0 ← S1 transitions are examined. Furthermore, the mixing of vibrational modes both between S0 & S1 and between S1 & D0 has been discussed.
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