TY - JOUR
T1 - Changes in the electric dipole moments and molecular polarizabilities of enol and keto forms of 2-(2′-hydroxyphenyl)benzimidazole along the proton transfer reaction path in a PMMA film
AU - Furukawa, Kazuki
AU - Yamamoto, Norifumi
AU - Nakabayashi, Takakazu
AU - Ohta, Nobuhiro
AU - Amimoto, Kiichi
AU - Sekiya, Hiroshi
N1 - Funding Information:
This work was partly supported by the Grants-in Aid for Scientific Research in Priority Area (461) ‘Molecular Theory for Real Systems’ (No. 19029034) and (477) ‘Molecular Science for Supra Functional Systems – Development of Advanced Methods for Exploring elementary Processes’ (No. 19056005) from the Japanese Ministry of Education, Sports, Science and Technology (MEXT) .
PY - 2012/6/29
Y1 - 2012/6/29
N2 - Electroabsorption and electrophotoluminescence spectra were investigated for 2-(2′-hydroxyphenyl)benzimidazole in PMMA, and the results were compared with quantum chemical calculations. The electroabsorption spectrum of the enol form was ascribed to a change in the molecular polarizability following photoexcitation. On the other hand, the electrophotoluminescence spectrum of the keto form was interpreted as a difference in the electric dipole moment between the excited and ground states. The molecular polarizability of the keto form in the S 1 state, estimated to be smaller than that in the S 0 state, suggests that the geometry of HPBI is substantially twisted in the S 1 state.
AB - Electroabsorption and electrophotoluminescence spectra were investigated for 2-(2′-hydroxyphenyl)benzimidazole in PMMA, and the results were compared with quantum chemical calculations. The electroabsorption spectrum of the enol form was ascribed to a change in the molecular polarizability following photoexcitation. On the other hand, the electrophotoluminescence spectrum of the keto form was interpreted as a difference in the electric dipole moment between the excited and ground states. The molecular polarizability of the keto form in the S 1 state, estimated to be smaller than that in the S 0 state, suggests that the geometry of HPBI is substantially twisted in the S 1 state.
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U2 - 10.1016/j.cplett.2012.05.021
DO - 10.1016/j.cplett.2012.05.021
M3 - Article
AN - SCOPUS:84862667981
VL - 539-540
SP - 45
EP - 49
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
ER -