Issue 8, 2017

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

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

Supplementary files

Article information

Article type
Edge Article
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
Creative Commons BY license

Chem. Sci., 2017,8, 5385-5391

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

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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