Photooxidation pathway providing 15-bromo-7-cyano[6]helicene. Chiroptical and photophysical properties and theoretical investigation

Hamrouni, Khaoula; Hafedh, Nesrine; Chmeck, Mourad; Aloui, Faouzi

doi:10.1016/j.molstruc.2020.128399

Cited by 4 publications

(2 citation statements)

References 43 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Quantum chemical computations were performed using density functional theory (DFT) and TDDFT methodologies of calculation [18], and using B3LYP functional coupling with the 6-31G (d) basis set [19,20]. DFT and TDDFT methodologies of calculations are frequently used for a better description of the structural, photophysical and electronic properties of organic synthesized materials [21,22]. The geometry of the first excited state was obtained by the re-optimization of the ground state optimized geometry with the configuration interaction singles restricted (RCIS) ab initio method (RCIS/6-31G(d)) [23].…”

Section: Experimental and Computational Detailsmentioning

confidence: 99%

Synthesis, Experimental and Theoretical Investigations on the Optical and Electronic Properties of New Organic Active Layer for a New Generation of Organic Light-Emitting Diode

Chemek¹,

Mabrouk²,

Braieck³

et al. 2022

Nanocomposite Materials for Biomedical and Energy Storage Applications

View full text Add to dashboard Cite

In this chapter, we present new attempts for the development of a new generation of high-performance organic light-emitting diodes (OLEDs). First of all, we present two strategies for obtaining a luminescent active layer. The first one is the chemical synthesis of a block copolymer based on the cross-linked Poly (N-vinyl carbazole) (PVK) and the conjugated poly(3-methylthiophene) (PMeT) system. Secondly, newly small luminescent organic molecules are chemically synthesized and studied. Photo-physical and electronic properties of the synthesized organic materials are fully investigated through experimental analysis and theoretical computations using essentially DFT and TDDFT methodologies. Optical measurements revealed the formation of a new highly luminescent organic material. Furthermore, the newly synthesized small molecules showed a high emission in the blue part. Based on the synthesized active layers, newly multi-structure OLED architectures are theoretically designed by the insertion of a single-walled carbon nanotube (SWCNTs) as a single layer. The theoretical computations show that the insertion of single-walled carbon nanotubes (SWCNTs) single layer improves the injection of electron charge carriers from the chosen cathode (Ca, Mg) to the synthesized active layers, which enhances the performance of the electronic focused devices based on the organic synthesized active layer.

show abstract

Section: Experimental and Computational Detailsmentioning

confidence: 99%

Synthesis, Experimental and Theoretical Investigations on the Optical and Electronic Properties of New Organic Active Layer for a New Generation of Organic Light-Emitting Diode

Chemek¹,

Mabrouk²,

Braieck³

et al. 2022

Nanocomposite Materials for Biomedical and Energy Storage Applications

View full text Add to dashboard Cite

show abstract

“…This charged compound obtained after resolution has demonstrated a high configurational stability. More recently, we have reported the synthesis of the nitrile-grafted benzo[c]phenanthrene derivatives 5a-b and used them to achieve enantiopure [6]helicenes [7,8]. [4]Helicenes have shown various applications in different areas thanks to their particular structure and their interesting properties.…”

Section: Introductionmentioning

confidence: 99%

Novel functional [4]helicenes through a photooxidation pathway. Investigation of the absorption and fluorescence in solution

Hafedh¹,

Asghar²,

Aloui³

2021

Comptes Rendus. Chimie

Self Cite

View full text Add to dashboard Cite

show abstract

2,15-dibutoxy-6,11-dicyano[6]Helicene: Synthesis, electrochemical, photophysical properties and computational studies

Raouafi

Chemek

Fontana

et al. 2022

Journal of Molecular Structure

View full text Add to dashboard Cite

Photooxidation pathway providing 15-bromo-7-cyano[6]helicene. Chiroptical and photophysical properties and theoretical investigation

Cited by 4 publications

References 43 publications

Synthesis, Experimental and Theoretical Investigations on the Optical and Electronic Properties of New Organic Active Layer for a New Generation of Organic Light-Emitting Diode

Synthesis, Experimental and Theoretical Investigations on the Optical and Electronic Properties of New Organic Active Layer for a New Generation of Organic Light-Emitting Diode

Novel functional [4]helicenes through a photooxidation pathway. Investigation of the absorption and fluorescence in solution

2,15-dibutoxy-6,11-dicyano[6]Helicene: Synthesis, electrochemical, photophysical properties and computational studies

Contact Info

Product

Resources

About