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- W3189405744 startingPage "12064" @default.
- W3189405744 abstract "π-Conjugated molecules with acceptor-donor-acceptor (A-D-A) electronic structures make up an important class of materials due to their tunable optoelectronic properties and applications in, for example, organic light-emitting diodes, nonlinear optical devices, and organic solar cells. The frontier molecular orbital energies, and thus band gaps, of these materials can be tuned by varying the donor and acceptor traits and π-electron counts of the structural components. Herein, we report the synthesis and characterization of a series of A-D-A compounds consisting of BF2 formazanates as electron acceptors bridged by a variety of π-conjugated donors. The results, which are supported by density functional theory calculations, demonstrate rational control of optoelectronic properties and the ability to tune the corresponding band gaps. The narrowest band gaps (EgOpt = 1.38 eV and EgCV = 1.21 eV) were observed when BF2 formazanates and benzodithiophene units were combined. This study provides significant insight into the band gap engineering of materials derived from BF2 formazanates and will inform their future development as semiconductors for use in organic electronics." @default.
- W3189405744 created "2021-08-16" @default.
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- W3189405744 date "2021-08-06" @default.
- W3189405744 modified "2023-10-18" @default.
- W3189405744 title "Band Gap Engineering in Acceptor-Donor-Acceptor Boron Difluoride Formazanates" @default.
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- W3189405744 doi "https://doi.org/10.1021/acs.joc.1c01416" @default.
- W3189405744 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34355898" @default.
- W3189405744 hasPublicationYear "2021" @default.
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