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Dr. Jonas Baltrusaitis, Prof. Dr. Coen de Graaf, Prof. Dr. Ria Broer and Prof. Dr. Eric V. Patterson H2S-Mediated Thermal and Photochemical Methane Activation ChemPhysChem 14

Version of Record online: 22 OCT 2013 | DOI: 10.1002/cphc.201300828

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Unlocking the unconventional: A density functional theory-based theoretical study describes a unique method aimed at facilitating the exploitation of natural gas containing H2S, an abundant unconventional resource, to yield a mixture of CH3SH as an activated derivative of methane and H2. By means of photochemical transformations via conical intersection-based light-driven molecular rearrangements, the proposed process can be driven at low temperatures, clearing access to “sour” natural gas resources.

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