1,3-二乙氧基苯的烧孔光谱和质量分辨阈值电离光谱

Hole-Burning and MATI Spectroscopy of 1,3-Diethoxybenzene

1,3-二乙氧基苯是最重要的酚类衍生物之一,其激发态和离子态的信息还未见文献报道。1,3-二乙氧基苯分子包含两个乙氧基,每个基团可以有两个相对不同取向(up或down)导致可能具有三个不同的旋转异构体。密度泛函理论计算表明基态的三个构型都是稳定的。为了确认和分辨超声分子束中存在的异构体,我们实验测量了间异丙基苯酚的共振双光子电离光谱和烧孔光谱,确定了分子束中只存在Ⅰ(up(down)和Ⅲ(down-down)两种异构物,它们的第一激发能分别为(36091±2)和(36165±2)cm-1,结合理论计算确定了各异构物的分子结构,分辨了共振多光子电离谱中各个异构物的振动谱。进行了质量分辨阈值电离光谱实验,精确确定了两个异构物的电离能分别为(62419±5)和(63378±5)cm-1。

1,3-diethoxybenzene is one of the most important phenol derivatives,and the information about its excited state and ionic state has not been reported in the literature.Density functional theory calculations show that the three different configurations of the ground state are all stable.In order to confirm and distinguish the rotamers in the molecular beam,we measured the resonance two-photon ionization spectrum and the hole-burning spectrum of 1,3-diethoxybenzene,and determined that there are only two rotamers(ConfigurationⅠandⅢ)in the molecular beam.Their first excitation energies are(36091±2)and(36165±2)cm-1,respectively.Combining with theoretical calculations,we determined the molecular structure of each rotamer and distinguish the vibration spectrum of each rotamer in the resonance two-photon ionization spectrum.Mass analyzed threshold ionization experiment was carried out,and the ionization energies of the two rotamers were determined to be(62419±5)and(63378±5)cm-1,respectively.