Fig. 2. Optimized ground-state and excited-state structures of compound 8a (left) and XMCQDPT2 natural orbitals involved in the S0–S1 transition (right). The color code stands for the carbon, hydrogen, oxygen, boron, nitrogen, and fluorine atoms depicted in green, white, red, magenta, blue, and yellow, respectively. The bond lengths are shown in Å, the dihedral angles are in degrees.
