Precise Regulation on the Bond Dissociation Energy of Exocyclic C–N Bonds in Various N‑Heterocycle Electron Donors via Machine Learning

Heterocycles with saturated N atoms (HetSNs) are widely used electron donors in organic light-emitting diode (OLED) materials. Their relatively low bond dissociation energy (BDE) of exocyclic C–N bonds has been closely related to material intrinsic stability and even device lifetime. Thus, it is imp...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The journal of physical chemistry letters 2024-04, Vol.15 (16), p.4422-4429
Hauptverfasser:	Meng, Qing-Yu, Wang, Rui, Shao, Hao-Yun, Wang, Yi-Lei, Wen, Xue-Liang, Yao, Cheng-Yu, Qiao, Juan
Format:	Artikel
Sprache:	eng
Schlagworte:	Physical Insights into Materials and Molecular Properties
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!