鄰-二甲氧基苯質量解析臨界游離光譜研究

Abstract

在此篇論文中，我們利用共振雙光子游離術以及質量解析臨界游離術測量了鄰－二甲氧基苯激發態S1和離子態D0的振動光譜。得到S1←S0躍遷能量35750 ± 2 cm-1和絕熱游離能61617 ± 5 cm-1。並且我們也利用理論計算對振動光譜做合理的指派以及游離能的預測。最後將把結果與其他苯衍生物的結果相互比較，而進一步得到取代基效應和鄰近效應對電子躍遷、游離能及分子振動的影響。

We use the resonant two-photon ionization (R2PI) and mass analyzed threshold ionization (MATI) spectroscopic techniques to record the vibrationally resolved spectra of o-dimethoxybenzene. The band origin of the S1←S0 electronic transition is found to be 35750 ± 2 cm-1 and the adiabatic ionization energy is 61617 ± 5 cm-1. By analying the ab initio and density functional calculations, we can give the spectral assignment to the spectrum and propose possible interpretation for our experimental finding. Finally, we compare o-dimethoxybenzene with other benzene derivatives to discuss the influence of vicinal substitution effect and substituent group effect on the electronic transition, ionization energy and molecule vibration.