Teng Yun-Lei, Jiang Ling, Han Song, Xu Qiang
National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka 563-8577, Japan.
J Phys Chem A. 2007 Jul 19;111(28):6225-31. doi: 10.1021/jp072138a. Epub 2007 Jun 20.
Laser-ablated germanium atoms have been codeposited at 4 K with water molecules in excess argon. Adduct and insertion products, such as Ge(H2O), HGeOH, HGeO, H2GeO, GeOH, Ge(OH)2, HGeOGeH, and HGeGeO, have been formed in the present experiments and characterized by using infrared spectroscopy on the basis of the results of the isotopic shifts, mixed isotopic splitting patterns, stepwise annealing, change of reagent concentration and laser energy, and comparison with theoretical predictions. Density functional theory calculations have been performed on these molecules and the corresponding transition states. The agreement between the experimental and calculated vibrational frequencies, relative absorption intensities, and isotopic shifts supports the identification of these molecules from the matrix infrared spectra. Plausible reaction mechanisms have been proposed to account for the formation of these molecules.
激光烧蚀的锗原子在4K下与过量氩气中的水分子共沉积。在本实验中形成了加合物和插入产物，如Ge(H₂O)、HGeOH、HGeO、H₂GeO、GeOH、Ge(OH)₂、HGeOGeH和HGeGeO，并根据同位素位移、混合同位素分裂模式、逐步退火、试剂浓度和激光能量的变化以及与理论预测的比较，通过红外光谱对其进行了表征。对这些分子和相应的过渡态进行了密度泛函理论计算。实验和计算得到的振动频率、相对吸收强度和同位素位移之间的一致性支持了从基质红外光谱中识别这些分子。已经提出了合理的反应机制来解释这些分子的形成。
