Polarization of organic aromatic molecule in anionic and cationic state
Vol. 40 No. 1227 (2019), Artykuły
Vol. 40 No. 1227 (2019)

Polarization of organic aromatic molecule in anionic and cationic state

Artykuły
https://doi.org/10.34658/physics.2019.40.27-35
Published December 31, 2019
Sylwester Kania
Institute of Physics, Lodz University of Technology
Barbara Kościelniak-Mucha
Centre of Mathematics and Physics, Lodz University of Technology
Janusz Kuliński
Centre of Mathematics and Physics, Lodz University of Technology
Piotr Słoma
Centre of Mathematics and Physics, Lodz University of Technology
Krzysztof Wojciechowski
Centre of Mathematics and Physics, Lodz University of Technology
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Keywords

DFT
anthraquinone
anthrone
charge transport

How to Cite

Kania, S., Kościelniak-Mucha, B., Kuliński, J., Słoma, P., & Wojciechowski, K. (2019). Polarization of organic aromatic molecule in anionic and cationic state. Scientific Bulletin. Physics, 40(1227), 27-35. https://doi.org/10.34658/physics.2019.40.27-35
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Abstract

The modification of electron states and the change in the geometry of the structure of molecule during hopping transport of charge carriers depends on the symmetry of the molecule. During electric transport the molecule reversibly transforms from neutral state to cation when hole conductivity occurs or to anion when electron conductivity occurs. The energies of orbitals HOMO and HOMO1 of anthrone and anthrachinone are always negative, what allows for holes transport. Positive energies of LUMO and LUMO+1 orbitals of anion of anthrone and anthraquinone in structure of anion or neutral molecule make electron transport difficult.

https://doi.org/10.34658/physics.2019.40.27-35
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