Email this article Electroluminescence of Halogen Complexes with Monovalent Copper: OLED Devices and DFT Modeling
- Authors: Valiev R.R.1,2, Minaev B.F.1,3,4, Gadirov R.M.1, Nikonova E.N.1, Solodova T.A.1, Nikonov S.Y.1, Bushuev M.B.5, Kopylova T.N.1
-
Affiliations:
- V. D. Kuznetsov Siberian Physical-Technical Institute at Tomsk State University
- National Research Tomsk Polytechnic University
- Cherkasy National University Named after Bogdan Khmelnitsky
- Key Laboratory of Engineering Plastics and Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Academia Sinica
- Institute of Inorganic Chemistry of the Siberian Branch of the Russian Academy of Sciences
- Issue: Vol 58, No 9 (2016)
- Pages: 1205-1211
- Section: Optics and Spectroscopy
- URL: https://ogarev-online.ru/1064-8887/article/view/236734
- DOI: https://doi.org/10.1007/s11182-016-0633-y
- ID: 236734
Cite item
Open Access
Access granted
Subscription Access
Abstract
Spectroscopic characteristics of complexes of Cu[I] ion with halogens synthesized by the TDDFT/CAM-B3LYP method are studied. It is shown that S0 → S1 and S0 → T1 electronic transitions are excitations with charge transfer. In this case, the electronic transitions proceed from the HOMO, HOMO-1 and HOMO-2 localized on halogen atoms to the LUMO localized on a ligand. The matrix elements of spin-orbit interaction are calculated using the single-electron operator (HSO). Based on these compounds, the organic light emitting diodes have been created. Their current–voltage and current-brightness characteristics are investigated.
Keywords
About the authors
R. R. Valiev
V. D. Kuznetsov Siberian Physical-Technical Institute at Tomsk State University; National Research Tomsk Polytechnic University
Author for correspondence.
Email: valievrashid@mail.ru
Russian Federation, Tomsk; Tomsk
B. F. Minaev
V. D. Kuznetsov Siberian Physical-Technical Institute at Tomsk State University; Cherkasy National University Named after Bogdan Khmelnitsky; Key Laboratory of Engineering Plastics and Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Academia Sinica
Author for correspondence.
Email: bfmin@rambler.ru
Russian Federation, Tomsk; Cherkassy; Beijing
R. M. Gadirov
V. D. Kuznetsov Siberian Physical-Technical Institute at Tomsk State University
Author for correspondence.
Email: grm882@ngs.ru
Russian Federation, Tomsk
E. N. Nikonova
V. D. Kuznetsov Siberian Physical-Technical Institute at Tomsk State University
Email: kopylova@phys.tsu.ru
Russian Federation, Tomsk
T. A. Solodova
V. D. Kuznetsov Siberian Physical-Technical Institute at Tomsk State University
Email: kopylova@phys.tsu.ru
Russian Federation, Tomsk
S. Yu. Nikonov
V. D. Kuznetsov Siberian Physical-Technical Institute at Tomsk State University
Email: kopylova@phys.tsu.ru
Russian Federation, Tomsk
M. B. Bushuev
Institute of Inorganic Chemistry of the Siberian Branch of the Russian Academy of Sciences
Author for correspondence.
Email: mark.bushuev@gmail.com
Russian Federation, Novosibirsk
T. N. Kopylova
V. D. Kuznetsov Siberian Physical-Technical Institute at Tomsk State University
Author for correspondence.
Email: kopylova@phys.tsu.ru
Russian Federation, Tomsk
Supplementary files
