Electronic spectra of jet-cooled 3-methyl-7-azaindole dimer. Symmetry of the lowest excited electronic state and double-proton transfer

Akihiko Hara, Yusuke Komoto, Kenji Sakota, Riko Miyoshi, Yoshiya Inokuchi, Kazuhiko Ohashi, Kanji Kubo, Emi Yamamoto, Akira Mori, Nobuyuki Nishi, Hiroshi Sekiya

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Abstract

The fluorescence excitation spectra are recorded for jet-cooled dual hydrogen-bonded 3-methyl-7-azaindole dimer (3MAI)2-hh and deuterated dimers (3MAI)2-hd and (3MAI)2-dd near the electronic origin region of the S1-S0 transition, where hd and dd indicate the deuteration of an imino hydrogen and two imino hydrogens, respectively. A single origin is detected in the spectra of (3MAI) 2-hh and (3MAI)2-dd, whereas two electronic origins separated by 13 cm-1 are detected in the spectrum of (3MAI) 2-hd. The excited-state double-proton transfer (ESDPT) occurs in (3MAI)2-hh, while (3MAI)2-hd and (3MAI)2-dd undergo excited-state proton/ deuteron transfer and excited-state double deuteron transfer, respectively. In (3MAI)2-hd, the excitation is localized on either the 3MAI-h or 3MAI-d moiety. The localization of the excitation is explained by a weak coupling of the excitonic states of (3MAI)2-hh and (3MAI)2-dd. The effective symmetry of the lowest excited state of (3MAI)2-hh and (3MAI)2-dd belongs to the C2h point group, while that of (3MAI)2-hd belongs to the Cs point group. The vibronic patterns in the excitation spectra of the (3MAI)2 dimers is very similar to those of the 7-azaindole dimers, indicating that the methyl substitution provides little effect on the shape of the ESDPT potential.

Original languageEnglish
Pages (from-to)10789-10793
Number of pages5
JournalJournal of Physical Chemistry A
Volume108
Issue number49
DOIs
Publication statusPublished - Dec 9 2004

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

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    Hara, A., Komoto, Y., Sakota, K., Miyoshi, R., Inokuchi, Y., Ohashi, K., Kubo, K., Yamamoto, E., Mori, A., Nishi, N., & Sekiya, H. (2004). Electronic spectra of jet-cooled 3-methyl-7-azaindole dimer. Symmetry of the lowest excited electronic state and double-proton transfer. Journal of Physical Chemistry A, 108(49), 10789-10793. https://doi.org/10.1021/jp0465480