81514-90-1Relevant academic research and scientific papers
Matrix-isolation infrared spectroscopic and density functional theory studies on reactions of laser-ablated lead and tin atoms with water molecules
Teng, Yun-Lei,Jiang, Ling,Han, Song,Xu, Qiang
, p. 2149 - 2156 (2009/08/08)
Reactions of laser-ablated lead and tin atoms with water molecules in excess argon were studied by infrared spectroscopy. Insertion products HMOH and HMO (M = Pb and Sn) formed in the present experiments and characterized using infrared spectroscopy on the basis of the results of isotopic shifts, mixed isotopic splitting patterns, stepwise annealing, changes in reagent concentration and laser energy, and a comparison with theoretical predictions. Density functional theory calculations were performed on these molecules and the corresponding transition states. 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.
