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The molecular orbitals involved as the main component in the electronic transitions of 5. Spatial functions representing orbitals were computed by application of PCM/TD-DFT/PBE1PBE/6-31+G(d,p)//PBE1PBE/6-31G(d,p) with a contour value 0.03 a.u. The isosurfaces marked by violet and salmon colors represent parts of orbitals in different colors represent parts of orbitals in different phases.
