Structures,Magnetic Properties,and Aromaticity of Cyclacenes |
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Authors: | Hyuk Soon Choi Kwang S. Kim |
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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. |
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Keywords: | Ab initio calculations Annulenes Aromaticity Macrocycles Magnetic properties |
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