title: Synthesis and luminescent properties and theoretical investigation on electronic structure of nitrile-based 2-pyridone molecules.
abstract: 3-Cyano-4,6-dimethyl-2-pyridone and 3-cyano-4-methyl-6-phenyl-2-pyridone were synthesized effectively by the reaction of readily available 1,3-diketone and malononitrile directly and in good yield. Upon photoexcitation, 3-cyano-4-methyl-6-phenyl-2-pyridone in ethanol shows strong blue emission. The ground- and excited-state geometries, charge distributions, and excitation energies of 2-pyridone derivatives were evaluated by ab initio calculations. Organic light-emitting diodes (OLED) made using 3-cyano-4-methyl-6-phenyl-2-pyridone as dopant showed blue light emission with a maximum electroluminescence (EL) emission at around 456 nm.
authors.affiliation: Key Laboratory of Interface Science and Engineering in Advanced Materials, The College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, China.
authors.forename: Liuqing
authors.initials: L
authors.lastname: Chen
authors.forename: Xuguang
authors.initials: X
authors.lastname: Liu
authors.forename: Bingshe
authors.initials: B
authors.lastname: Xu
authors.forename: Chunyan
authors.initials: C
authors.lastname: Sun
authors.forename: Peng
authors.initials: P
authors.lastname: Tao
mesh_terms: D003198:Computer Simulation; D018360:Crystallography, X-Ray; D004583:Electrons; D049449:Luminescence; D015394:Molecular Structure; D009570:Nitriles / Q000737:chemistry*; D011728:Pyridones / Q000138:chemical synthesis*; D013056:Spectrophotometry, Ultraviolet; D014961:X-Ray Diffraction
chemical_list: D009570:Nitriles; D011728:Pyridones