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Role of Acetate Anions in the Catalytic Formation of Isocyanurates from Aromatic Isocyanates by Yunfei Guo; Mikko Muuronen; Peter Deglmann; Frederic Lucas; Rint P. Sijbesma; Željko Tomović is a Chemistry article available to read on EtoBox.
What is Role of Acetate Anions in the Catalytic Formation of Isocyanurates from Aromatic Isocyanates about?
The formation of isocyanurates via cyclotrimerization of aromatic isocyanates is widely used to enhance the physical properties of a variety of polyurethanes. The most commonly used catalysts in industries are carboxylates for which the exact catalytically active species have remained controversial. We investigated how acetate and other carboxylates react with aromatic isocyanates in a stepwise manner and identified that the carboxylates are only precatalysts in the reaction. The reaction of carboxylates with an excess of aromatic isocyanates leads to irreversible formation of corresponding deprotonated amide species that are strongly nucleophilic and basic. As a result, they are active catalysts during the nucleophilic anionic trimerization, but can also deprotonate urethane and urea species present, which in turn catalyze the isocyanurate formation. The current study also shows how quantum chemical calculations can be used to direct spectroscopic identification of reactive intermediates formed during the active catalytic cycle with predictive accuracy.
Who reads Role of Acetate Anions in the Catalytic Formation of Isocyanurates from Aromatic Isocyanates?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Yunfei Guo; Mikko Muuronen; Peter Deglmann; Frederic Lucas; Rint P. Sijbesma; Željko Tomović
- Publisher
- American Chemical Society (ACS)
- Published
- 2021
- Language
- EN
- Field
- Chemistry (Physical Sciences)