On the reliability of determination of energies of HOMO and LUMO levels in organic semiconductors from electrochemical measurements. A simple picture based on the electrostatic model

2016 ◽  
Vol 33 ◽  
pp. 300-310 ◽  
Author(s):  
Juliusz Sworakowski ◽  
Józef Lipiński ◽  
Krzysztof Janus
Nanomaterials ◽  
2019 ◽  
Vol 9 (8) ◽  
pp. 1179 ◽  
Author(s):  
Przemyslaw Ledwon ◽  
Gabriela Wiosna-Salyga ◽  
Marian Chapran ◽  
Radoslaw Motyka

A series of novel donor–acceptor D–π–A–π–D compounds were synthesized and characterized in order to determine the influence of different acceptor units on their properties. The introduction of acceptor moieties had a direct impact on the HOMO and LUMO energy levels. Fluorescence spectra of compounds can be changed by the choice of an appropriate acceptor and were shifted from the green to the near-infrared part of spectra. Due to observed concentration induced emission quenching, the green exciplex type host was used to evaluate the potential of synthesized molecules as emitters in organic light emitting diodes (OLEDs).


2004 ◽  
Vol 59 (12) ◽  
pp. 987-996
Author(s):  
Hamzeh S. M. Al-Omari

MNDO calculations have been employed to study the effect of some substituents of the acetaldemine-vinylamine tautomeric system at the imine-carbon position of CH3CXNH, where X = H, F, CN, NH2, NO2, BH2, CH3 and CF3. It is found that the substitutents F, NH2 and NO2 encourage the formation of the enamine tautomer. The substitutents CN, CH3, CF3 and BH2 encourage the formation of the imine tautomer. Isodesmic reactions, free energy change (ΔG), charge distribution and energy gap (Eg) between HOMO and LUMO were used to prove these findings. Resonance stabilization was a major factor in the determination of the most stable tautomer. These results were compared with previous work on the substitution at the σ -carbon position.


2019 ◽  
Vol 115 (17) ◽  
pp. 173301
Author(s):  
Hans Wilke ◽  
Nicolai M. Hoinka ◽  
Thomas Kusserow ◽  
Thomas Fuhrmann-Lieker ◽  
Hartmut Hillmer

2008 ◽  
Vol 10 (8) ◽  
pp. 085001 ◽  
Author(s):  
S Krause ◽  
M B Casu ◽  
A Schöll ◽  
E Umbach

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