<br/>We describe our findings on the synthesis, characterization, electrochemistry, crystal structures of a series of donor acceptor molecules incorporating triphenylamine and strong electron accepting groups including cyano-, nitro-, dicyanovinyl and tricyanovinyl groups. We also use the Cambridge crystal structure database to search for packing patterns observed in structurally related triphenylamine molecules. We focused our work on the following features: planarity, packing and close intermolecular interactions. We compare these results with our own findings on a series of similar molecules which we reported earlier. The synthesis, solid state structures, electrochemistry, Density Functional Theory calculations and optical properties of six new triphenyl amine molecules will be reported. Finally we shed some light on rather peculiar shifts in the CN stretching frequency in IR and Raman spectra of some of these materials, a characteristic that can be utilized for using such materials as biological markers using these unique spectral features.

Crystal structures of triphenylamine-based donor acceptor molecules for solar cell applications

2019 Spring National Meeting

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