Computational insights into the reactivity for the [2+5] cycloaddition reactions of norbornene-linked group 14 element/P-based and Si/group 15 element-based frustrated Lewis pairs with benzaldehyde

• Published in: Physical chemistry chemical physics : PCCP Vol. 25; no. 1; pp. 7423 - 7435
• Main Authors: Zhang, Zheng-Feng, Su, Ming-Der
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 08.03.2023
• Subjects: Atomic radius; Benzaldehyde; Bonding strength; Cycloaddition; Density functional theory; Lewis acid; Lewis base; Potential energy; Silicon compounds

The element effects of Lewis acid (LA) and Lewis base (LB) on the potential energy surfaces of [2+5] cycloaddition reactions of norbornene-based G14/P-based (G14 = group 14 element) and Si/G15-based (G15 = group 14 element) frustrated Lewis pair (FLP)-type molecules with benzaldehyde were theoretica...