Effect of substituent structure in fluorene based compounds: Experimental and theoretical study
Sonia Kotowicz1, Daiva Tavgeniene2, Raminta Beresneviciute2
1Institute of Chemistry, University of Silesia, 9 Szkolna Str., 40-006 Katowice, Poland.
Summary
New fluorene derivatives exhibit excellent thermal stability and electrochemical properties, showing promise for applications in organic-inorganic solar cells. These materials offer tunable electronic characteristics for advanced optoelectronic devices.
Area of Science:
- Materials Science
- Organic Chemistry
- Photovoltaics
Background:
- Fluorene derivatives are widely explored for organic electronics due to their unique photophysical and thermal properties.
- Developing novel low molar weight fluorene-based materials is crucial for advancing organic solar cell technology.
Purpose of the Study:
- To synthesize and characterize novel fluorene-based low molar weight derivatives.
- To investigate the photophysical, thermal, and electrochemical properties of these new compounds.
- To evaluate their potential application in organic-inorganic solar cells.
Main Methods:
- Suzuki reactions were employed for the synthesis of fluorene derivatives using specific dibromofluorene precursors and aryl boronic acids.
- Photophysical properties were assessed in solution and solid states.
- Thermal stability was determined using thermogravimetric analysis (TGA), and glass transition temperatures (Tg) were measured.
- Electrochemical properties and energy band gaps were analyzed.
- Density Functional Theory (DFT) calculations supported the experimental findings.
- Photovoltaic performance was tested in organic-inorganic solar cells.
Main Results:
- Synthesized fluorene derivatives demonstrated high thermal stability, with 5% mass loss temperatures (T5%) ranging from 311-432 °C.
- Some compounds exhibited high glass transition temperatures (Tg) above 125 °C.
- The synthesized molecules were electrochemically active with energy band gaps below 2.97 eV.
- DFT calculations provided insights into their electronic structures.
- The compounds showed potential in organic-inorganic solar cell applications.
Conclusions:
- The synthesized fluorene-based low molar weight derivatives possess excellent thermal stability and favorable electrochemical properties.
- These materials are promising candidates for use in organic-inorganic solar cells.
- The study highlights the potential of these tailored fluorene structures for optoelectronic applications.
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