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Tuning HOMO–LUMO levels: trends leading to the design of 9‐fluorenone scaffolds with predictable electronic and optoelectronic properties by Galen L. Eakins; Joshua S. Alford; Brandon J. Tiegs; Bryan E. Breyfogle; Chad J. Stearman is a Chemistry article available to read on EtoBox.
What is Tuning HOMO–LUMO levels: trends leading to the design of 9‐fluorenone scaffolds with predictable electronic and optoelectronic properties about?
Highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) tuning is an important consideration in the development of organic‐based semiconducting materials. A study of the specific effects and overall trends for the HOMO–LUMO tuning of a diverse series of 9‐fluorenones by means of extended conjugation and substituent effects is described. Trends were explored in a range of compounds, beginning with structures having highly electron‐withdrawing substituents and progressing to structures having highly electron‐donating substituents. Compounds with an incremental increase in conjugation were also examined. Electrochemical and optical measurements were used to calculate the HOMO–LUMO levels and HOMO–LUMO bandgap (HLG) for each structure. Results from both methods were compared and correlated with the differences in molecular structure. Increasing the electron‐donating character of the substituents was observed to decrease the HLG and increase the energy levels of the HOMO and the LUMO, whereas an increase in the electron‐withdrawing character produced the opposite results. Increasing conjugation decreased the HLG, increased the HOMO energy level, but decreased
Who reads Tuning HOMO–LUMO levels: trends leading to the design of 9‐fluorenone scaffolds with predictable electronic and optoelectronic properties?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Galen L. Eakins; Joshua S. Alford; Brandon J. Tiegs; Bryan E. Breyfogle; Chad J. Stearman
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0894-3230)
- Published
- 2011
- Language
- EN
- Field
- Chemistry (Physical Sciences)