Computational insights into CO2 binding reactions by intramolecular geminal group-IV+/phosphorus- and zirconium+/group-15-based frustrated Lewis pairs

• Published in: Physical chemistry chemical physics : PCCP Vol. 25; no. 30; pp. 20618 - 20631
• Main Authors: Wu, Chi-Shiun, Ming-Der Su
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 02.08.2023
• Subjects: Binding; Carbon dioxide; Carbon sequestration; Design factors; Molecular orbitals; Physical factors; Zirconium

In order to reduce global warming, there is growing interest in the design of frustrated Lewis pair (FLP) molecules for CO2 capture. This research aims to investigate the influence of group IV (M) or group 15 (G15) elements on the reactivity of intramolecular geminal M+/G15-based frustrated Lewis pa...