Competing Excited-State Hydrogen and Proton-Transfer Processes in 6-Azaindole-S and 2,6-Diazaindole-S Clusters (S=H O, NH ).

Excited state hydrogen (ESHT) and proton (ESPT) transfer reaction pathways in the three and four solvent clusters of 6-azaindole (6AI-S ) and 2,6-diazaindole (26DAI-S )(S=H O, NH ) were computationally investigated to understand the fate of photo-excited biomolecules. The ESHT energy barriers in (H O) complexes (39.6-41.