Abstract

• A series of Eu(III) fluorinated β-diketonate complexes have been synthesized and characterized. • Photophysical parameters were estimated experimentally as well as theoretically via LUMPAC. • Energy of frontier molecular orbitals and global reactivity parameters were estimated. • These conductive ternary europium complexes could be utilized as red emanating materials for display applications. Synthesis and photoluminescence performance of a series of heteroleptic europium complexes with fluorinated chromophoric ligand and 2,2′-bipyridine or their derivatives as ancillary ligand are reported here. The structure of the synthesized complexes was analyzed by various spectroscopic techniques. The photoluminescence emission spectra of complexes show the existence of characteristic peaks corresponding to Eu 3+ ion attributed to 5 D 0 → 7 F J transitions. PL outcomes and color parameters have specified the red emissive nature of prepared complexes. Various photophysical parameters were estimated experimentally and theoretically from LUMPAC software. The structure and energy of various frontier molecular orbitals of the complexes were evaluated. Theoretical parameters estimated by LUMPAC corroborate with experimental data and prove the effectiveness of this method. These conducting and luminous complexes might be utilized as red light emitting materials in various display devices.

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