2, 5-二氟苯酚分子之旋转异构物的质量分辨阈值电离光谱

doi:10.3866/PKU.WHXB201601293

Acta Phys. -Chim. Sin. ›› 2016, Vol. 32 ›› Issue (4): 893-900.doi: 10.3866/PKU.WHXB201601293

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

Pei-Ying WU^1,²,Sheng-Yuan TZENG^1,*(),Ching-Yun TSAI^1,³,Wen-Bih TZENG^1,³

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

Received:2015-11-30 Published:2016-04-07
Contact: Sheng-Yuan TZENG E-mail:wbt@sinica.edu.tw
Supported by:
the Ministry of Science and Technology of the Republic of China(MOST-103-2113-M-001-009, MOST-104-2113-M-001-014)

Abstract

Abstract:

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.

Key words: Resonant two-photon ionization technique, Threshold ionization, Vibronic spectrum, Cation spectrum, 2, 5-Difluorophenol

MSC2000:

O643

Pei-Ying WU,Sheng-Yuan TZENG,Ching-Yun TSAI,Wen-Bih TZENG. Rotamers of 2, 5-Difluorophenol Studied Using Mass-Analyzed Threshold Ionization Spectroscopy[J].Acta Phys. -Chim. Sin., 2016, 32(4): 893-900.

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

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