Research (Photophysical Chemistry)

For the photofunctional materials, molecular excited states are essential and the theoretical study can clarify the details of the photophysical property of the molecules. We have investigated the excited states and electronic processes of the organic light emitting diodes (OLED), dye-sensitized solar cells (DSSC), UVB(ultra-violet B) blocking molecules, and biological chemosensor, using the accurate electronic structure theory.

Polymer type OLED

Polymer type OLED is cost effective and easy to process, and therefore, various type of molecules which show electroluminescence and/or conductivity have been developed. The emission spectrum, for example, has the vibrational structure or band width which are relevant to the photophysical properties. In view of the molecular design or control of the photophysical properties, theoretical analysis and prediction are very important. We have investigated various type of photofunctional molecules. In figure, we show the emission spectra of diindrocarbazole. Theoretical calculations reproduces the fine structure of experimental spectra and clarify the detailed mechanism. [TCA 2011]

Molecular design of phthalocyanine congeners

Phthalocyanines are stable and durable compounds that show strong photo absorption in visible region; therefore, they are widely applied to various dyes and pigments.  Molecular designs of phthalocyanine congeners are important subject for an efficient usage of near-IR to visible-light.  We studies the excited states of extended phthalocyanines [JCP 2010] and fused phthalocyanine dimers [JCP2012]

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