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Structures,Magnetic Properties,and Aromaticity of Cyclacenes
Authors:Hyuk Soon Choi  Kwang S. Kim
Abstract:
Two [2 n ]trannulene rings coupled through n C−C bonds dictate the properties and aromaticity of [n]cyclacenes (one possible valence isomer is shown schematically). Theoretical calculations indicate that [n]cyclacenes with even values of n constitute a novel class of organic semiconductors and magnetic materials.
Keywords:Ab initio calculations  Annulenes  Aromaticity  Macrocycles  Magnetic properties
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