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- W2079793505 abstract "Infrared chemiluminescence from vibrationally excited H2O, HOD, and D2O molecules in the ranges 3200−3900 cm-1 (O−H stretch) and 2400−2900 cm-1 (O−D stretch) was observed from the reactions of OH and OD radicals with hydrogen and deuterium bromide in a fast flow reactor with 0.5−2 Torr of Ar carrier gas at 300 K. Hydroxyl radicals were produced via the H + NO2 reaction; the H atoms were generated by microwave discharge in a H2/Ar mixture. Vibrational distributions for H2O, HOD, and D2O were determined by computer simulation of the experimental emission spectra. The H2O emission from OH + HBr reaction shows inverted populations for both the collisionally coupled stretching modes and the bending mode. Inversion in the bending distribution with a maximum for v2 = 1 is more apparent in the v1,3 = 1 level, which is populated up to the thermochemical limit of v2 = 5. The HOD emission from OD + HBr shows an inverted population in the O−H stretching mode with a maximum for v3 = 2 and shows a decreasing population in the collisionally mixed O−D stretching/bending ν1,2 levels with half the molecules in the v1 = 0 group. The distribution in ν1,2 for HOD from the OH + DBr reaction also appeared to be decreasing for v1 > 0 levels, but collisional redistribution to v3 = 1 seems evident from the pressure dependence of the vibrational distributions. These distributions are discussed with the aid of the information theoretic analysis and compared to F atom abstraction reactions from HBr and DBr and to quantum-scattering calculations on an OH + HBr surface. The overall vibrational energy disposal is 〈fv〉 ≈ 0.6, which resembles the analogous three-body cases. However, the partitioning of the energy between stretching and bending modes raises new questions about reaction dynamics." @default.
- W2079793505 created "2016-06-24" @default.
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- W2079793505 date "1996-01-01" @default.
- W2079793505 modified "2023-10-10" @default.
- W2079793505 title "Chemical Dynamics of H Abstraction by OH Radicals: Vibrational Excitation of H<sub>2</sub>O, HOD, and D<sub>2</sub>O Produced in Reactions of OH and OD with HBr and DBr" @default.
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- W2079793505 doi "https://doi.org/10.1021/jp952848t" @default.
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