A White-Light-Emitting Small Molecule: Synthesis, Crystal Structure, and Optical Properties
A white-light-emitting small molecule (1) was synthesized and characterized by single-crystal X-ray diffraction. Compound 1 undergoes an excited-state intramolecular proton transfer (ESIPT) reaction, resulting in a tautomer that is in equilibrium with the normal species and exhibiting a dual emissio...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2014-01-01
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| Series: | International Journal of Photoenergy |
| Online Access: | http://dx.doi.org/10.1155/2014/124753 |
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| _version_ | 1832551088648093696 |
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| author | Sin-Kai Fang Hsing-Yang Tsai Jiun-Wei Hu Kew-Yu Chen |
| author_facet | Sin-Kai Fang Hsing-Yang Tsai Jiun-Wei Hu Kew-Yu Chen |
| author_sort | Sin-Kai Fang |
| collection | DOAJ |
| description | A white-light-emitting small molecule (1) was synthesized and characterized by single-crystal X-ray diffraction. Compound 1 undergoes an excited-state intramolecular proton transfer (ESIPT) reaction, resulting in a tautomer that is in equilibrium with the normal species and exhibiting a dual emission that covers almost all of the visible spectrum, and consequently generates white light. Furthermore, the geometric structures, the frontier molecular orbitals (MOs), and the potential energy curves for 1 in the ground and the first singlet excited state were fully rationalized by density functional theory (DFT) and time-dependent DFT calculations. The results show that the forward ESIPT and backward ESIPT may happen on the same timescale, enabling the excited-state equilibrium to be established. |
| format | Article |
| id | doaj-art-fcb2889cb3d8488c9787a57b23c910ad |
| institution | Kabale University |
| issn | 1110-662X 1687-529X |
| language | English |
| publishDate | 2014-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | International Journal of Photoenergy |
| spelling | doaj-art-fcb2889cb3d8488c9787a57b23c910ad2025-02-03T06:05:05ZengWileyInternational Journal of Photoenergy1110-662X1687-529X2014-01-01201410.1155/2014/124753124753A White-Light-Emitting Small Molecule: Synthesis, Crystal Structure, and Optical PropertiesSin-Kai Fang0Hsing-Yang Tsai1Jiun-Wei Hu2Kew-Yu Chen3Department of Chemical Engineering, Feng Chia University, 40724 Taichung, TaiwanDepartment of Chemical Engineering, Feng Chia University, 40724 Taichung, TaiwanDepartment of Chemical Engineering, Feng Chia University, 40724 Taichung, TaiwanDepartment of Chemical Engineering, Feng Chia University, 40724 Taichung, TaiwanA white-light-emitting small molecule (1) was synthesized and characterized by single-crystal X-ray diffraction. Compound 1 undergoes an excited-state intramolecular proton transfer (ESIPT) reaction, resulting in a tautomer that is in equilibrium with the normal species and exhibiting a dual emission that covers almost all of the visible spectrum, and consequently generates white light. Furthermore, the geometric structures, the frontier molecular orbitals (MOs), and the potential energy curves for 1 in the ground and the first singlet excited state were fully rationalized by density functional theory (DFT) and time-dependent DFT calculations. The results show that the forward ESIPT and backward ESIPT may happen on the same timescale, enabling the excited-state equilibrium to be established.http://dx.doi.org/10.1155/2014/124753 |
| spellingShingle | Sin-Kai Fang Hsing-Yang Tsai Jiun-Wei Hu Kew-Yu Chen A White-Light-Emitting Small Molecule: Synthesis, Crystal Structure, and Optical Properties International Journal of Photoenergy |
| title | A White-Light-Emitting Small Molecule: Synthesis, Crystal Structure, and Optical Properties |
| title_full | A White-Light-Emitting Small Molecule: Synthesis, Crystal Structure, and Optical Properties |
| title_fullStr | A White-Light-Emitting Small Molecule: Synthesis, Crystal Structure, and Optical Properties |
| title_full_unstemmed | A White-Light-Emitting Small Molecule: Synthesis, Crystal Structure, and Optical Properties |
| title_short | A White-Light-Emitting Small Molecule: Synthesis, Crystal Structure, and Optical Properties |
| title_sort | white light emitting small molecule synthesis crystal structure and optical properties |
| url | http://dx.doi.org/10.1155/2014/124753 |
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