ISSN:
1432-2234
Keywords:
Polynuclear aromatic hydrocarbons
;
Lithium π complexes
;
Graphite-lithium intercalates
;
Barriers to migration
;
Charge transfer
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract In a preliminary investigation of the bonding between the sub-lattices of lithium and of graphite in intercalation compounds, molecular orbital calculations are performed on systems of Li atoms π complexed to one or both sides of polynuclear aromatic hydrocarbons. Energy wells calculated reveal possible sites offered to the Li atoms above the aromatic plane to form complexes in both central and edge regions of the molecule. The influence of additional complexed Li atoms on the migratory tendency of a given Li atom is also investigated, and observations made on the effect of the complexed Li atoms on the C-C bonds of the hydrocarbon.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00529059
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