From Molecules to Devices: Insights into Electronic and Optical Properties of Pyridine-Derived Compounds Using Density Functional Theory Calculations

In this study, we delve into the electronic structure, spectroscopic, and optical properties of five benzo derivatives of pyridine, namely, 5-(4-chlorophenyl)-2-fluoropyridine (1), 2-fluoro-5-(4-fluorophenyl)­pyridine (2), 4-(2-fluoropyridin-5-yl)­phenol (3), 5-(2,3-dichlorophenyl)-2-fluoropyridine...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2024-02, Vol.128 (6), p.1049-1062
Hauptverfasser:	Mahmood, Ayyaz, Akram, Tayyaba, Chen, Shenggui, Azam, Sikander
Format:	Artikel
Sprache:	eng
Schlagworte:	A: Structure, Spectroscopy, and Reactivity of Molecules and Clusters
Online-Zugang:	Volltext
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