title: Synthesis, crystal structures and photoluminescence of 7-(N,N'-diethylamino)-3-phenylcoumarin derivatives.
abstract: Two new coumarin derivatives, 7-(N,N'-diethylamino)-3-(4-hydroxyphenyl)-coumarin and 7-(N,N'-diethylamino)-3-(4-bromophenyl)-coumarin, were synthesized successfully. Their structures were verified by single crystal X-ray crystallography. The UV-vis absorption and fluorescence of the compounds were discussed. The compounds exhibit strong blue emission under ultraviolet light excitation. The molecular structures, the lowest energy transitions and the UV-vis spectra of 7-(N,N'-diethylamino)-3-(4-hydroxyphenyl)-coumarin and 7-(N,N'-diethylamino)-3-(4-bromophenyl)-coumarin have been studied with density functional theory (DFT) and time-dependent density functional theory (TD-DFT) at B3LYP/6-31G(d) level.
authors.affiliation: Key Laboratory of Opto-Electronic Technology and Intelligent Control (Lanzhou Jiaotong University), Ministry of Education, Lanzhou, Gansu, China. ytz823@hotmail.com
authors.forename: Tianzhi
authors.initials: T
authors.lastname: Yu
authors.forename: Jing
authors.initials: J
authors.lastname: Meng
authors.forename: Peng
authors.initials: P
authors.lastname: Zhang
authors.forename: Yuling
authors.initials: Y
authors.lastname: Zhao
authors.forename: Hui
authors.initials: H
authors.lastname: Zhang
authors.forename: Duowang
authors.initials: D
authors.lastname: Fan
authors.forename: Lili
authors.initials: L
authors.lastname: Chen
authors.forename: Yongqing
authors.initials: Y
authors.lastname: Qiu
mesh_terms: D003374:Coumarins / Q000737:chemistry*; D018360:Crystallography, X-Ray; D049449:Luminescence; D008958:Models, Molecular; D008969:Molecular Sequence Data; D015394:Molecular Structure; D013050:Spectrometry, Fluorescence; D013056:Spectrophotometry, Ultraviolet
chemical_list: D003374:Coumarins