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

Zhang X; Komoto Y; Sakota K; Nakagaki M; Nakano H; Shinmyozu T; Sekiya H

Chemical Physics Letters, Vol.441, No.4-6, 176-180, 2007

DOI10.1016/j.cplett.2007.05.004 Export Citation

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

Zhang X, Komoto Y, Sakota K, Nakagaki M, Nakano H, Shinmyozu T, Sekiya H

The measurement of the electronic spectra of jet-cooled 4-chloro-7-azaindole dimer (4CAI(2)) 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. (c) 2007 Elsevier B.V. All rights reserved.