Rotamers of m-chloroanisole studied by two-color resonant two-photon mass-analyzed threshold ionization spectroscopy

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• 作者：Hsin Chang Huang ; Kui Shiu Shiung ; Bih Yaw Jin ; Wen Bih Tzeng
• 关键词：Resonant two-photon ionization ; Mass-analyzed threshold ionization ; m-Chloroanisole ; Rotamer ; Isotopologue ; Vibronic spectrum ; Cation spectrum
• 刊名：Chemical Physics
• 出版年：8 November, 2013
• 年：2013
• 卷：425
• 期：Complete
• 页码：114-120
• 全文大小：1087 K

文摘

We apply the resonant two-photon ionization (R2PI) and mass-analyzed threshold ionization (MATI) techniques to record the vibronic and cation spectra of m-chloroanisole. The vibronic features appear in two series, built on 35,822 卤 2 and 35,868 卤 2 cm^鈭?, corresponding to the origins of the S₁ 鈫?#xA0;S₀ electronic transition (E₁鈥檚) of the two rotamers. Analysis of the MATI spectra gives the adiabatic ionization energies (IEs) of 67,645 卤 5 and 68,008 卤 5 cm^鈭? for these two isomeric species. Comparing these data with those of anisole, we find that the chlorine substitution at the meta position leads to a red shift in the E₁ and a blue shift in the IE. The observed R2PI and MATI bands mainly result from the in-plane ring deformation and substituent-sensitive bending vibrations of these species in the electronically excited S₁ and cationic ground D₀ states.