Journal
CHEMICAL SCIENCE
Volume 8, Issue 8, Pages 5385-5391Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7sc01797a
Keywords
-
Categories
Funding
- National Science Foundation
- Beijing Advanced Innovation Center
- University of Nebraska Holland Computing Center
Ask authors/readers for more resources
We carry out Born-Oppenheimer molecular dynamic simulations to show that the reaction between the smallest Criegee intermediate, CH2OO, and hydrogen sulfide (H2S) at the air/water interface can be observed within few picoseconds. The reaction follows both concerted and stepwise mechanisms with former being the dominant reaction pathway. The concerted reaction proceeds with or without the involvement of one or two nearby water molecules. An important implication of the simulation results is that the Criegee-H2S reaction can provide a novel non-photochemical pathway for the formation of a C-S linkage in clouds and could be a new oxidation pathway for H2S in terrestrial, geothermal and volcanic regions.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available