Title
Computational Treatments of Hybrid Dye Materials of Azobenzene and Chiral Schiff Base Metal Complexes
Author
Takashiro Akitsu, Atsuo Yamazaki, Kana Kobayashi, Tomoyuki Haraguchi, Kazunaka Endo
Year
2018
Journal
Inorganics
Abstract
Molecular orientation of dyes must be one of the important factors for designing dye-sensitized solar cells (DSSC). As model systems, we have prepared new hybrid materials composed of azobenzene (AZ) and chiral Schiff base Cu(II) complexes (pn(S)Cu and pn(R)Cu) in polymethyl methacrylate (PMMA) cast films. In addition to experimental results, in order to understand their behavior due to anisotropic alignment of them by linearly polarized UV light irradiation, the so-called Weigert effect, we treated theoretically and discussed based on computational chemistry and mathematical treatments (MD simulation and Bayesian statistics).
Full Article
Instrument
J-725
Keywords
Circular dichroism, Solid state, Stereochemistry, Inorganic chemistry, Materials