Abstract

The Cover Feature illustrates the photophysics and photochemistry of the norbornadiene (NBD) and quadricyclane (QC) molecular switch pair by the characterization of the low-lying valence and Rydberg states by means of CASPT2//CASSCF multireference theory. Two low energy conical intersections were identified for both the NBD↔QC photochemical reaction revealing that the photorelaxation is ruled by the deformation of two coupled reaction coordinates and the nonadiabatic population exchange is facilitated by a doubly excited valence state. More information can be found in the Research Article by Marco Marazzi, Mariachiara Pastore and co-workers.

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