Tracing the transition from covalent to non-covalent functionalization of pyrene through C-, N-, and O-based ionic and radical substrates using quantum mechanical calculations

Pyrene is one of the widely investigated aromatic hydrocarbons given its unique optical and electronic properties. Modulating inherent characteristics of pyrene via covalent or non-covalent functionalization has been attractive for a wide variety of advanced biomedical and other device applications....

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Veröffentlicht in:	RSC advances 2023-05, Vol.13 (21), p.14119-1413
Hauptverfasser:	Pandey, Anwesh, Kumar, Nandan
Format:	Artikel
Sprache:	eng
Schlagworte:	Aromatic hydrocarbons Cations Chemistry Covalence Methylation Optical properties Polarization Quantum mechanics Radicals Substitutes Substrates
Online-Zugang:	Volltext
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