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Cover Picture: Re‐examination of the C 6 Li 6 Structure: To Be, or not To Be Symmetric (Chem. Eur. J. 38/2013)
Author(s) -
Moreno Diego,
MartínezGuajardo Gerardo,
DíazCelaya Andrés,
Mercero José M.,
de Coss Romeo,
PerezPeralta Nancy,
Merino Gabriel
Publication year - 2013
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201390144
Subject(s) - dissociation (chemistry) , cover (algebra) , cluster (spacecraft) , crystallography , lithium (medication) , molecular dynamics , potential energy surface , chemistry , chemical physics , physics , materials science , thermodynamics , computational chemistry , molecule , computer science , organic chemistry , mechanical engineering , medicine , engineering , programming language , endocrinology
The potential energy surface and fluxionality of C 6 Li 6 is discussed by G. Moreno et al. in their Full Paper on page 12668 ff. , providing a new structure of C 6 Li 6 , which can be described as three C 2 2− 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.