Cover Picture: Re‐examination of the C6Li6 Structure: To Be, or not To Be Symmetric (Chem. Eur. J. 38/2013). Issue 38 (12th September 2013)

• Record Type: Journal Article
• Authors: Moreno, Diego; Martínez‐Guajardo, Gerardo; Díaz‐Celaya, Andrés; Mercero, José M.; de Coss, Romeo; Perez‐Peralta, Nancy; Merino, Gabriel
• Is Part Of: Chemistry. Volume 19:Issue 38(2013)
• Page Start: 12565
• Page End: 12565
• Publication Date: 2013-09-12
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.201390144
• Languages: English
• ISSNs: 0947-6539

Abstract

<abstract abstract-type="graphical" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <bold>The potential energy surface</bold> and fluxionality of C₆Li₆ is discussed by G. Moreno et al. in their Full Paper on <ext-link ext-link-type="doi" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink">page 12668 ff.</ext-link>, providing a new structure of C₆Li₆, which can be described as three C₂²⁻ fragments, strongly aggregated through lithium bridges. At high temperatures fluxionality is perceived instead of dissociation. At 600 and 900 K, Born–Oppenheimer molecular dynamics simulations show that the lithium mobility is high, indicating that the cluster behaves like a liquid.<boxed-text content-type="graphic" position="anchor" orientation="portrait"><graphic position="anchor" mimetype="image" xlink:href="ark:/27927/pgg37rmpdxm" orientation="portrait" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" /></boxed-text></p> </abstract>