Synthesis, structure and photoresponsive properties of 4-(3-fluorobenzylideneamino)antipyrine
作者： Ran Zhang , Ruojing Song , Yuxi Sun , Qingli Hao
DOI: 10.1016/J.SAA.2013.04.099
关键词:
摘要: Organic compounds are attracting greater attention largely in the recent years owing to their potential applications functional materials. Herein we reported structural and photophysical properties of 4-(3-fluorobenzylideneamino)antipyrine. The studied molecule adopts a trans configuration about imine bond, forms non-planar molecular device consisted two effectively conjugated π-electron moieties. stronger vibrational nonlinear optical activities tightly related characteristics revealed by analysis on modes frontier orbitals. intramolecular electrons can be separated electron-transporting with specified photon-absorbing theoretically. total dipole moment, mean linear polarizability first-order hyperpolarizability calculated at B3LYP/6-31G(d) level 1.5390 Debye, 35.6075 A(3) 1.5391×10(-29) cm(5)/esu, respectively. results indicate that compound is promising candidate photoresponsive
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