- High resolution Fourier transform spectroscopy of the PbO molecule from investigation of the O2(1Δg)-Pb reaction
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From the reaction of Pb with metastable oxygen O2(1Δg) in a Broida type oven we have analysed at high resolution some vibrational levels of the XO+, a1, AO+ and B1 states of the 208PbO molecule.The rotational parameters determined allowed us to recalculate the position of the various isotope lines to within 0.01 cm-1.We have found a negative value of οexe (-0.123(25)cm-1) in AO+, contrary to previous observations.The Ο type doubling in a1 varies from +1.8E-4 cm-1 (v'=2) to +2.3E-4 cm-1 (v'=9) and in B1 from -1.17E-4 (v'=0) to -0.97E-4 cm-1 (v'=2).
- Martin, F.,Bacis, R.,Verges, J.,Bachar, J.,Rosenwaks, S.
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- Matrix-isolation infrared spectroscopic and density functional theory studies on reactions of laser-ablated lead and tin atoms with water molecules
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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.
- Teng, Yun-Lei,Jiang, Ling,Han, Song,Xu, Qiang
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p. 2149 - 2156
(2009/08/08)
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- Infrared spectra of M(OH)1,2,4 (M = Pb, Sn) in solid argon
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Infrared absorptions for the matrix-isolated lead and tin hydroxides M(OH), M(OH)2 and M(OH)4 (M = Pb, Sn) were observed in laser-ablated metal atom reactions with H2O2 during condensation in excess argon. The major M(OH)2 product was also observed with H2 and O2 mixtures, which allowed the substitution of 18O2. The band assignments were confirmed by appropriate D2O2, D2, 16O 18O, and 18O2 isotopic shifts. MP2 and B3LYP calculations were performed to obtain molecular structures and to reproduce the infrared spectra. The minimum energy structure found for M(OH)2 has Cs symmetry and a weak intramolecular hydrogen bond. In experiments with Sn, HD, and O2, the internal D bond is favored over the H bond for Sn(OH)(OD). The Pb(OH)4 and Sn(OH)4 molecules are calculated to have S4 symmetry and substantial covalent character.
- Wang, Xuefeng,Andrews, Lester
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p. 9013 - 9020
(2008/10/09)
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