Citation: WU Pei-Ying, TZENG Sheng-Yuan, TSAI Ching-Yun, TZENG Wen-Bih. Rotamers of 2,5-Difluorophenol Studied Using Mass-Analyzed Threshold Ionization Spectroscopy[J]. Acta Physico-Chimica Sinica, ;2016, 32(4): 893-900. doi: 10.3866/PKU.WHXB201601293 shu

Rotamers of 2,5-Difluorophenol Studied Using Mass-Analyzed Threshold Ionization Spectroscopy

1.
1. Laboratory for Mass Spectrometric and Spectroscopic Studies of Biomolecules, Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617;
2.
2. Department of Chemistry, National Taiwan University, Taipei 10617;
3.
3. Department of Chemistry, National Taiwan Normal University, Taipei 11677

Corresponding author: TZENG Wen-Bih,
Received Date: 30 November 2015
Available Online: 28 January 2016
Fund Project: 国家科技部(MOST-103-2113-M-001-009, MOST-104-2113-M-001-014)资助项目 (MOST-103-2113-M-001-009, MOST-104-2113-M-001-014)

We applied resonant two-photon ionization (R²PI) and mass-analyzed threshold ionization (MATI) techniques to record the vibronic and cationic spectra of 2,5-difluorophenol. The distinct bands at 36448 and 36743 cm^-1 were confirmed as the origins of the S₁ ← S₀ electronic transition of the cis and trans rotamers, respectively. The corresponding adiabatic ionization energies were found to be 71164 and 71476 cm^-1 for these two rotameric species. The observed spectral features mainly result from the in-plane ring deformation and substituent-sensitive bending vibrations. Spectral analysis suggests that the molecular geometry and vibrational coordinates of the cation in the D₀ state resemble those of the neutral species in the S₁ state for both cis and trans rotamers.
- Resonant two-photon ionization technique,
- Threshold ionization,
- Vibronic spectrum,
- Cation spectrum,
- 2,5-Difluorophenol
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