Hydration Leads to Efficient Reactions of the Carbonate Radical Anion with Hydrogen Chloride in the Gas Phase.
作者： Wai Kit Tang , Christian van der Linde , Chi-Kit Siu , Martin K. Beyer
关键词: Hydrogen chloride 、 Chemistry 、 Photochemistry 、 Gas phase 、 Ion 、 Quantum chemical 、 Inorganic chemistry 、 Ligand 、 Carbonate 、 Reaction rate constant 、 Hydrogen
摘要: The carbonate radical anion CO3•– is a key intermediate in tropospheric chemistry. Despite its character, only small number of reactions have been reported the literature. Here we investigate gas-phase and CO3•–(H2O) with HCl under ultrahigh vacuum conditions. Bare forms OHCl•– rate constant 4.2 × 10–12 cm3 s–1, which corresponds to an efficiency 0.4%. Hydration accelerates reaction, ligand exchange H2O against proceeds 2.7 10–10 s–1. Quantum chemical calculations reveal that best described as OH• hydrogen bonded Cl–, while product Cl–(HCO3•). Under conditions, where dominant species, Cl–(HCO3•) efficiently formed. These must be included models
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