Computational studies on → and → isomerizations of photoresponsive azobis(benzo-15-crown-5) have been reported in this work. The photoexcited ππ* state (S) of the isomer relaxes through the planar S minimum and the planar S/S conical intersection (both situated around 9 kcal/mol below the vertically excited S state) arising along the N═N stretching coordinate. The nπ* state (S) of this isomer has both planar and rotated (clockwise and anticlockwise) minima, which may lead to a torsional conical intersection (S/S) geometry having a
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