Energy Scheme showing the optimizations of the different electronic excited states evolving towards three minima: MinA, MinB and MinC. These minima are followed by the corresponding reaction paths leading to PBF. Each electronic excited state is represented with a different color. Particularly, critical points in the potential energy surface (PES) of the electronic ground state (S0) are represented in blue and those in the PES of the first excited state (S1) are represented in red. The dissociation energy (DE) of the dimer in the S0 is also presented. Each minima, for each pathway has been labeled with a letter and a number, i.e. A1, and its molecular structure is represented above each mechanism. The transition states connecting the minima are also given. Relative energies in the scheme are given in eV and are referred to the most stable dimer in the electronic ground state S0.
