Excited-state energy and geometry changes during the [1,7]H-shift reactionof cycloheptatriene

[GRAPHICS] The minimum energy path of the photochemical [1,7]H-shift reaction of 1,3,5 -cycloheptatriene from the Franck-Condon region in the spectroscopic S-2 st ate to the S-2/S-1 conical intersection has been determined. These data tog ether with previous results(1) were used to create a video, which visualize s the complete course of the excited state reaction by displaying all energ y and geometry changes that occur along the reaction coordinate.