DFT and TD-DFT study on the optical and electronic properties of derivatives of 1,4-bis(2-substituted-1,3,4-oxadiazole)benzene

DFT and TD-DFT study on the optical and electronic properties of derivatives of 1,4-bis(2-substituted-1,3,4-oxadiazole)benzene

A series of 1,4-bis(2-substituted-1,3,4-oxadiazole)benzene derivatives has been designed to explore their optical, electronic, and charge transport properties for luminescent and charge transport materials. The frontier molecular orbitals (FMOs) analysis have turned out that the vertical electronic...

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Bibliographic Details
Main Authors: Fuyu Sun, Ruifa Jin
Format: Article
Language:English
Published: Elsevier 2017-05-01
Series:Arabian Journal of Chemistry
Subjects:
1,4-Bis(2-substituted-1,3,4-oxadiazole)benzene
Organic light-emitting diodes (OLEDs)
Absorption spectra
Fluorescence spectra
Reorganization energy
Online Access:http://www.sciencedirect.com/science/article/pii/S1878535213004073

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http://www.sciencedirect.com/science/article/pii/S1878535213004073

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