Keto-enol tautomerism of β-diketo molecules in the presence of graphitic materials through π-π stacking

The pseudo aromatic structures of the enol forms of β-diketo molecules are stabilized on the surface of graphitic materials through π-π interaction. This phenomenon has been studied through a relative binding energy calculation using density functional theory. The intermolecular interaction as well...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2024-02, Vol.26 (7), p.6118-6126
Hauptverfasser:	Maity, Sayantan, Khatri, Jaipriya, Kumar, Vijay, Dhar, Basab Bijayi
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorbates Adsorbents Density functional theory Functional groups Pi-electrons Stability Tautomers
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!