噻唑电子激发和光解动力学研究

Study of Electron Excitation and Photodissociation Dynamics of Thiazole

获得了噻唑的共振拉曼光谱,结果表明,在Franck Condon区域,噻唑的激发态结构动力学主要由9个活性振动模组成。不对称C-S伸缩振动模ν12的出现,表明在S1态时噻唑两个C-S键发生了不同程度键长变化,一个显著伸长,另一个却变化不大。预示噻唑可能在S1态时与某个非绝热单重态Sn存在锥形交叉,导致噻唑发生C-S键断裂而解离。

We obtained the resonance raman spectrum of thiazole,the results indicate that the Franck-Condon region short-time photodissociation dynamics of thiazole have multidimensional characters with motion along the 9 vibration mode.The appearance of the nominal C-S anti-symmetric stretch＋C-C=C bend modeν12 at 748 cm-1,suggests that thiazole molecule in the S1 state undergoes large bond length changes along the two C-S bond lengths with one C-S bond becoming much longer while the other becomes somewhat shorter.This kind of short-time dynamics suggests that a ring opening reaction may occur in or nearby the Franck-Condon region due to a curve crossing between S1 and Sn state.