Optical and charge transport properties of N-butyl-1,8-naphthalimide derivatives as organic light-emitting materials: A theoretical study
作者： Fuyu Sun , Ruifa Jin
DOI: 10.1016/J.JLUMIN.2014.01.011
关键词:
摘要: Abstract A series of N-butyl-1,8-naphthalimide derivatives have been designed to explore their optical, electronic, and charge transport properties as and/or luminescent materials for organic light-emitting diodes (OLEDs). The frontier molecular orbitals (FMOs) analysis has turned out that the vertical electronic transitions absorption emission are characterized intramolecular transfer (ICT). calculated results show optical affected by substituent groups in 4-position 1,8-naphthalimide ring. Our suggest with biphenyl (1), 2-phenylthiophene (2), 2-(thiophen-2-yl)thiophene (3), 2,3-dihydrothieno[3,4-b][1,4]dioxine (4), 2-phenyl-1,3,4-oxadiazole (5), benzo[c][1,2,5]thiadiazole (6), benzo[c]thiophene (7), benzo[d]thieno[3,2-b]thiophene (8) fragments expected be promising candidates OLEDs, particularly 1–3 5. In addition, 7 8 can used hole OLEDs.
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