Figure 4: Electron-transfer process between non-covalently bonded pyrrole molecules.
From: Identification of a new electron-transfer relaxation pathway in photoexcited pyrrole dimers
Adiabatic potential energy curves for the S0 (black), S1(πB3sA) (blue) and S2(πA3sA) (red) states calculated at the DFT/MRCI/aug-cc-pVDZ level, (a) along the N–H dissociation coordinate of monomer A and (b) along the vector R connecting the centres of masses of the two monomers.
