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Synthesis and photophysical properties of 2,2′-bis(oligothiophene)-9,9′-bifluorenylidene derivatives
- Source :
- New Journal of Chemistry. 42:2094-2103
- Publication Year :
- 2018
- Publisher :
- Royal Society of Chemistry (RSC), 2018.
-
Abstract
- Herein, three novel 9,9′-bifluorenylidene derivatives containing thiophenyl, terthiophenyl, and tetrathiophenyl groups at the 2- and 2′-positions of the 9,9′-bifluorenylidene skeleton were synthesized and characterized. Their photophysical and electrochemical properties were investigated systematically. The ground state geometries and electronic distributions of the HOMO and LUMO energy levels of the 9,9′-bifluorenylidene derivatives were calculated by density functional theory (DFT) and time-dependent density functional theory (TD-DFT) at the B3LYP/6-31G(d) level.
- Subjects :
- Chemistry
02 engineering and technology
General Chemistry
010402 general chemistry
021001 nanoscience & nanotechnology
Electrochemistry
01 natural sciences
Catalysis
0104 chemical sciences
Computational chemistry
Materials Chemistry
Density functional theory
0210 nano-technology
Ground state
HOMO/LUMO
Subjects
Details
- ISSN :
- 13699261 and 11440546
- Volume :
- 42
- Database :
- OpenAIRE
- Journal :
- New Journal of Chemistry
- Accession number :
- edsair.doi...........53c21f392691decb247672c4b124d0f9
- Full Text :
- https://doi.org/10.1039/c7nj03926c