Modeling of the structure and IR spectra of boron difluoride acetylacetonate and its halogen-substituted derivatives

Design, Synthesis, and Crystallization‐Induced Emission of Boron Difluorides β‐Ketoiminates

“…The IR spectra of compounds 2 a – e and 3 a – e contain the absorption bands in the ranges 1612–1637 and 1566–1544 cm −1 , whereas the IR spectra of β‐diketonate complexes contain a unified absorption band of conjugated C=O and C=C bonds at 1540 cm −1 (Figure ) . According to quantum chemistry calculations of IR spectra of compound 1 a , this absorption band is the result of flat bending vibrations of the chelate ring with the participation of stretching C−C and C−O vibrations (Figure a).…”