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(a) Plots of the frontier orbitals and energy levels of the donor‐functionalised borafluorene derivatives (B3PW91/6‐311+G*//B3LYP/6‐31G**). (b) Optimised geometries and illustration of the transitions of the S1 states of the three compounds (PBE0/6‐31G**, using CH2Cl2 as solvent model).
