Heavy mass effect on excited-state double-proton transfer in the 7-azaindole dimer by Cl substitution

Abstract: The measurement of the electronic spectra of jet-cooled 4-chloro-7-azaindole dimer (4CAI2) revealed that the Cl substitution substantially suppresses the excited-state double-proton transfer (ESDPT). Quantum chemistry calculation at the CIS level suggested that the change in the intermolecular stretching mode, which promotes ESDPT, is important for the suppression of ESDPT. [Copyright &y& Elsevier]