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Issue 8, 2017
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Criegee intermediate-hydrogen sulfide chemistry at the air/water interface

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Abstract

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.

Graphical abstract: Criegee intermediate-hydrogen sulfide chemistry at the air/water interface

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Supplementary files

Article information


Submitted
22 Apr 2017
Accepted
09 May 2017
First published
16 May 2017

This article is Open Access
All publication charges for this article have been paid for by the Royal Society of Chemistry

Chem. Sci., 2017,8, 5385-5391
Article type
Edge Article

Criegee intermediate-hydrogen sulfide chemistry at the air/water interface

M. Kumar, J. Zhong, J. S. Francisco and X. C. Zeng, Chem. Sci., 2017, 8, 5385
DOI: 10.1039/C7SC01797A

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