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Three novel fluorinated terphenyls were synthesized by a Suzuki Miyaura method. DFT and TDDFT were performed to explore FMO, DOS analysis and third-order NLO properties. This may provide new ways to utilise fluorinated terphenyl compounds as advanced functional materials.

rsc advances

Exploration of CH⋯F &amp; CF⋯H mediated supramolecular arrangements into fluorinated terphenyls and theoretical prediction of their third-order nonlinear optical response