The reaction of isotope-substituted hydrated iodide I(H182O)− with ozone: the reactive influence of the solvent water molecule.

Autor: Pedersen, Henrik B., Elm, Jonas, Frederiksen, Christian H., Jessen, Simon P. S., Teiwes, Ricky, Bilde, Merete
Zdroj: Physical Chemistry Chemical Physics (PCCP); 9/14/2020, Vol. 22 Issue 34, p19080-19088, 9p
Abstrakt: We report an investigation of the reaction of isotope-substituted hydrated iodide I(H 182 O) with ozone 16O3 to examine the involvement of the water molecules in the oxidation reactions that terminate with the formation of IO3. Experimentally, we studied the reaction in the gas phase as elementary reactions using a radio-frequency (RF) ion-trap combined with a quadrupole mass spectrometer (QMS). In approximately 1.2% of the reactions of I(H 182 O) and 16O3, the 18O atom is found to appear in iodine oxide anions, thus giving evidence for a close involvement of the water molecule in a non-negligible number of the reactions towards IO3. As a part of the experimental investigation, the reaction rate constant for the exchange reaction I(H 182 O) + H 162 O → I(H 162 O) + H 182 O at 300 K was found to be (1.3 ± 0.1) × 10−8 cm3 s−1. Quantum chemical calculations are exploited to establish the energetic difference between I(H 182 O) and I(H 162 O). [ABSTRACT FROM AUTHOR]
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