A White-Light-Emitting Small Molecule: Synthesis, Crystal Structure, and Optical Properties
Joint Authors
Fang, Sin-Kai
Tsai, Hsing-Yang
Hu, Jiun-Wei
Chen, Kew-Yu
Source
International Journal of Photoenergy
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-9, 9 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-05-25
Country of Publication
Egypt
No. of Pages
9
Main Subjects
Abstract EN
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.
American Psychological Association (APA)
Fang, Sin-Kai& Tsai, Hsing-Yang& Hu, Jiun-Wei& Chen, Kew-Yu. 2014. A White-Light-Emitting Small Molecule: Synthesis, Crystal Structure, and Optical Properties. International Journal of Photoenergy،Vol. 2014, no. 2014, pp.1-9.
https://search.emarefa.net/detail/BIM-1036775
Modern Language Association (MLA)
Fang, Sin-Kai…[et al.]. A White-Light-Emitting Small Molecule: Synthesis, Crystal Structure, and Optical Properties. International Journal of Photoenergy No. 2014 (2014), pp.1-9.
https://search.emarefa.net/detail/BIM-1036775
American Medical Association (AMA)
Fang, Sin-Kai& Tsai, Hsing-Yang& Hu, Jiun-Wei& Chen, Kew-Yu. A White-Light-Emitting Small Molecule: Synthesis, Crystal Structure, and Optical Properties. International Journal of Photoenergy. 2014. Vol. 2014, no. 2014, pp.1-9.
https://search.emarefa.net/detail/BIM-1036775
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1036775