Computational Treatments of Hybrid Dye Materials of Azobenzene and Chiral Schiff Base Metal Complexes
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...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2018-03-01
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| Series: | Inorganics |
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| Online Access: | http://www.mdpi.com/2304-6740/6/2/37 |
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| author | Takashiro Akitsu Atsuo Yamazaki Kana Kobayashi Tomoyuki Haraguchi Kazunaka Endo |
| author_facet | Takashiro Akitsu Atsuo Yamazaki Kana Kobayashi Tomoyuki Haraguchi Kazunaka Endo |
| author_sort | Takashiro Akitsu |
| collection | DOAJ |
| description | 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). |
| first_indexed | 2024-12-24T04:43:17Z |
| format | Article |
| id | doaj.art-f05915f607e84e12838b77129d93d6ae |
| institution | Directory Open Access Journal |
| issn | 2304-6740 |
| language | English |
| last_indexed | 2024-12-24T04:43:17Z |
| publishDate | 2018-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Inorganics |
| spelling | doaj.art-f05915f607e84e12838b77129d93d6ae2022-12-21T17:14:45ZengMDPI AGInorganics2304-67402018-03-01623710.3390/inorganics6020037inorganics6020037Computational Treatments of Hybrid Dye Materials of Azobenzene and Chiral Schiff Base Metal ComplexesTakashiro Akitsu0Atsuo Yamazaki1Kana Kobayashi2Tomoyuki Haraguchi3Kazunaka Endo4Department of Chesmitry, Faculty of Science, Tokyo University of Science, Tokyo 162-8601, JapanDepartment of Chesmitry, Faculty of Science, Tokyo University of Science, Tokyo 162-8601, JapanDepartment of Chesmitry, Faculty of Science, Tokyo University of Science, Tokyo 162-8601, JapanDepartment of Chesmitry, Faculty of Science, Tokyo University of Science, Tokyo 162-8601, JapanDepartment of Chesmitry, Faculty of Science, Tokyo University of Science, Tokyo 162-8601, JapanMolecular 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).http://www.mdpi.com/2304-6740/6/2/37azobenzeneSchiff base complexespolarized lightcomputationMDBayesian statistics |
| spellingShingle | Takashiro Akitsu Atsuo Yamazaki Kana Kobayashi Tomoyuki Haraguchi Kazunaka Endo Computational Treatments of Hybrid Dye Materials of Azobenzene and Chiral Schiff Base Metal Complexes Inorganics azobenzene Schiff base complexes polarized light computation MD Bayesian statistics |
| title | Computational Treatments of Hybrid Dye Materials of Azobenzene and Chiral Schiff Base Metal Complexes |
| title_full | Computational Treatments of Hybrid Dye Materials of Azobenzene and Chiral Schiff Base Metal Complexes |
| title_fullStr | Computational Treatments of Hybrid Dye Materials of Azobenzene and Chiral Schiff Base Metal Complexes |
| title_full_unstemmed | Computational Treatments of Hybrid Dye Materials of Azobenzene and Chiral Schiff Base Metal Complexes |
| title_short | Computational Treatments of Hybrid Dye Materials of Azobenzene and Chiral Schiff Base Metal Complexes |
| title_sort | computational treatments of hybrid dye materials of azobenzene and chiral schiff base metal complexes |
| topic | azobenzene Schiff base complexes polarized light computation MD Bayesian statistics |
| url | http://www.mdpi.com/2304-6740/6/2/37 |
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