Bis-benzofulvenes: Synthesis and Studies on Their Optoelectronic Properties
Sourav Mondal1, Tamal Ballav1, Tofayel Sheikh Mohammad1
1Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur, West Bengal 721302, India.
Abstract:
We report the synthesis of bis-benzofulvenes and the studies on their optical and redox properties. Bis-benzofulvenes were achieved through the Pd-catalyzed intramolecular Heck coupling followed by Ni0-mediated C(sp2)-Br dimerization. Low optical and electrochemical energy gaps of 2.05 and 1.68 eV were achieved by tuning the substituent on the exomethylene unit and the aromatic ring. The observed trends in the energy gaps were compared, and the frontier molecular orbitals were visualized using the density functional theory.
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