Activation of Methane and Carbon Dioxide Mediated by Transition‐Metal Doped Magnesium Oxide Clusters [MMgO]+/0/− (M=Sc–Zn). Issue 21 (13th April 2015)

• Record Type: Journal Article
• Authors: Li, Jilai; González‐Navarrete, Patricio; Schlangen, Maria; Schwarz, Helmut
• Is Part Of: Chemistry. Volume 21:Issue 21(2015)
• Page Start: 7780
• Page End: 7789
• Publication Date: 2015-04-13
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.201500715
• Languages: English
• ISSNs: 0947-6539

Abstract

<abstract abstract-type="graphical" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <bold>Mission: impossible?</bold> DFT calculations show that the trends in the thermochemistry are very different for the activation of CO₂ and CH₄ mediated by transition‐metal doped magnesium oxide clusters [MMgO]^+/0/− (M=Sc–Zn). Thus, seeking a "simple" reagent to simultaneously mediate activation and coupling of CH₄ and CO₂ with high efficiency seems extremely daunting, if not impossible.<graphic position="anchor" mimetype="image" xlink:href="ark:/27927/pgjkz2n9z8" orientation="portrait" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" /></p> </abstract>