The mechanism of ring-opening polymerization of L-lactide by ICl 3 catalysts: Halogen bond catalysis or participating in reactions?

The mechanism of ring-opening polymerization of L-lactide by iodine trichloride (ICl ) catalyst has been explored by using density functional theory (DFT) calculations and three catalytic pathways were proposed. The first and second pathways belong to the halogen bond catalysis, and the third pathwa...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of computational chemistry 2019-12, Vol.40 (32), p.2827-2833
Hauptverfasser:	Guo, Shuaifei, Sun, Cuihong, Meng, Lingpeng, Zeng, Yanli
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!