Organic Light Emitting Properties of the Functional Pyridine-Containing Diacylhydrazones

• DOI: 10.4028/www.scientific.net/amr.1096.392
• Publication Date: 2015-04-07T08:23:26Z
• Authors: Kun Yuan; Ling Ling Lv; Xiao Feng Wang; Yuan Cheng Zhu
• Keywords: 01 natural sciences; 0104 chemical sciences

The pyridine-containing diacylhydrazones derivatives are functional organic light emitting molecular materials. In this paper, S 0 ground states and the 1 excited of four compounds were optimized with density theory (DFT) at B3LYP/3-21+G level single-excitation configuration interaction CIS/3-21+G method, respectively. We discussed in detail relationships between orbital energy, absorption emission performances structures compounds. addition, analysis on frontier (FMO) energy gaps indicated that stronger conjugations are, much more red-shift spectrum will be. According to calculated spectra data, it can be conclude one alternative electron transporting photoactive