Computer Science
Scientific paper
Jun 2009
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..confera06i&link_type=abstract
"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec
Computer Science
Infrared/Raman
Scientific paper
7-azaindole (7-AI) dimer is a very attractive species as a model system of neucleic-acid base pair. It is well-known that it exhibits the excited-state double proton transfer (DPT) reaction. In solution, the tautomeric dimer generated in the DPT reaction goes back to normal form in the electronic ground state. This ground-state inverse DPT reaction is not thoroughly studied, so far. Thus, we carry out infrared spectroscopy of the jet-cooled 7-AI tautomeric dimer and examine the possibility of the vibrational-excitation promoted inverse DPT reaction. In the IR spectrum of the 7-AI tautomeric dimer, a very strong and broad band appears at 2680 cm^{-1} and is assigned as the anti-symmetric NH stretch mode. On the contrary, sharp bands around 3100 cm^{-1} are assigned as the CH stretch modes. Such a large difference in the band profiles among these bands is related to the difference in the vibrational anharmonicity of these modes. To discuss the vibrational anharmonicity of the NH stretch mode and the relation to the DPT reaction, we have also recorded IR spectra of several deuterated dimers. Comparison among the IR spectra of isotopomers will be discussed in the paper.
Fujihara Akimasa
Fuke Kiyokazu
Ishikawa Haruki
Yabuguchi Hiroki
Yamada Yuji
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