摘要
本實驗利用了單色共振雙光子游離、雙色共振雙光子游離(R2PI)與質量解析臨界游離光譜術(MATI)來探討間氯苯胺的分子特性，這些新的訊息包括從基態到第一電子激發態精確的躍遷能量、游離能及其在第一電子激發態和離子態的振動光譜。間氯苯胺的躍遷能和絕熱游離能分別為33658cm-1及63958cm-1，在目前的儀器偵測極限下，35Cl 和37Cl同位素對這兩個測量數值是沒有差別的，光譜分析結果顯示大部分較為明顯的譜峰都和芳香環上的平面運動有關。另外，我們也使用ab initio及密度泛函理論來做理論計算，與實驗結果作比較並進行分子光譜指派工作。本實驗及理論計算的結果使我們更瞭解同位素效應及不同取代基位置對於電子躍遷能量及分子振動的影響。
並列摘要
The one-color, two-color resonant two photon ionization (R2PI) and mass analyzed threshold ionization (MATI) spectroscopic techniques have been used to probe the molecular properties of m-chloroaniline. The obtained experimental data include the precise transition energy from the ground state to the first electronically excited state and the adiabatic ionization energy as well as the active vibrational spectra in the first electronically excited S1 and cationic ground D0 states. The band origin of the electronic transition and ionization energy are determined to be 33658 cm-1 and 63958 cm-1, respectively. Within the present experimental detection limit, there is no difference between the measured values for the 35Cl and 37Cl isotopomers. Analysis of our experimental results shows that most of the active modes of m-chloroaniline in the S1 and D0 states are related to in-plane vibrations of the aromatic ring. We have also performed the ab initio and density functional calculations which help in spectral assignment and support our experimental findings. The present studies allow us to investigate the isotope and vicinal substitution effects on the transition energy and molecular vibrations.
參考文獻
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延伸閱讀
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