Rotamers of 3,4-difluoroanisole studied by two-color resonant two-photon mass-analyzed threshold ionization spectroscopy

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• 作者：Yanqi Xu^a ; ^c ; Sheng Yuan Tzeng^a ; ^b ; Bing Zhang^c ; Wen Bih Tzeng^a ; ^b ; ^{wbt@sinica.edu.tw}
• 关键词：Cation spectroscopy ; Threshold ionization ; Resonant ionization ; Rotamers ; 3 ; 4-Difluoroanisole
• 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
• 出版年：2013
• 出版时间：February, 2013
• 年：2013
• 卷：102
• 期：Complete
• 页码：365-370
• 全文大小：496 K

文摘

We reported the vibronic and cation spectra of 3,4-difluoroanisole. The band origins of the S₁ ¡û S₀ electronic transition of the cis and trans rotamers appear at 35,505 ¡À 2 and 35,711 ¡À 2 cm^?1 and the adiabatic ionization energies are determined to be 67,780 ¡À 5 and 68,125 ¡À 5 cm^?1, respectively. Most of the observed active vibrations in the electronically excited S₁ and cationic ground D₀ states mainly involve in-plane ring deformation and substituent-sensitive bending vibrations. Analysis of the obtained vibronic and cation spectra suggests that the molecular geometry, symmetry, and vibrational coordinates of the cation in the D₀ state are like those of the neutral species in the S₁ state for these two isomeric species.