Affiliation:
1. Department of Chemistry Malaviya National Institute of Technology Jaipur Jaipur India
Abstract
AbstractIn the present work, using on‐the‐fly classical trajectory calculations along with quantum chemical computation, we have shown that HO+O3→ OH•+2O2 reaction can be a potential source of the vibrationally excited OH radical. The investigation suggests that OH radical will be majorly produced in ν=1 and ν=2 states. We have also shown that the vibrationally hot OH radical is key in interpreting the observed branching fraction of 16OH• in the gas phase experiment of Nelson and Zahniser (J. Phys. Chem. 1994, 98, 2101–2104). Lastly, we have discussed the atmospheric implications of title reaction by comparing it with other chemical reactions known to produce hot OH radical in the atmosphere.
Funder
Science and Engineering Research Board
Subject
Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry
Cited by
2 articles.
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