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Ryuichi Yamaguchi, Satoru Ito, Byung Sun Lee, Dr. Satoru Hiroto, Prof. Dr. Dongho Kim and Prof. Dr. Hiroshi Shinokubo Functionalization of Hexa-peri-hexabenzocoronenes: Investigation of the Substituent Effects on a Superbenzene Chemistry – An Asian Journal 8

Article first published online: 24 OCT 2012 | DOI: 10.1002/asia.201200723

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The synthesis of ortho-, meta-, and para-substituted HBCs with various functional groups was accomplished through a direct C[BOND]H borylation strategy. We have elucidated that the substituents significantly influenced the photophysical properties of HBCs. DFT calculations revealed that the substituents cause changes in the molecular orbitals, thereby resulting in an increase in the transition probability from the S0[RIGHTWARDS ARROW]S1 states.

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