Disclosing multiple factors influencing enantioselective copolymerization of CO ₂ with <i>meso</i> -epoxides using β-diiminate Zn catalysts

2025/01/01 by Yolanda Rusconi, Massimo Christian D’Alterio, Claudio De Rosa +2 · 2 voices
Chemical Engineering · Chemistry · Materials Science · #Carbon dioxide utilization in catalysis #Organometallic Complex Synthesis and Catalysis #Polymer Foaming and Composites

paper · pdf · doi:10.1039/d5gc00523j

openalex publication_date 2025/01/01 · openalex created_date 2025/03/12 · openalex updated_date 2026/07/03

Abstract

The factors contributing to the enantioselective ring opening copolymerization of CO 2 and meso -epoxide have been unveiled by DFT calculations combined with activation strain model and noncovalent interaction analysis.

Citations

• Fully optimized contracted Gaussian basis sets for atoms Li to Kr
• Density-functional thermochemistry. III. The role of exact exchange
• The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
• Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Discussions

• Out in #GreenChemistry 💚 This study identifies key factors influencing ring-opening copolymerization enantioselectivity 🔗 doi.org/10.1039/D5GC... Part of the Make polymers sustainable, why and h [bsky, 4 points, 0 comments]
• What started as an undergraduate project has now found its place in the scientific community! If you’re curious about what determines the enantioselectivity of β-diiminate Zn catalysts in CO2/CHO cop [bsky, 2 points, 0 comments]

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