Computational design for enantioselective CO2 capture: asymmetric frustrated Lewis pairs in epoxide transformations DOI Creative Commons
Maxime Ferrer, Íñigo Iribarren, Tim Renningholtz

et al.

Beilstein Journal of Organic Chemistry, Journal Year: 2024, Volume and Issue: 20, P. 2668 - 2681

Published: Oct. 22, 2024

Carbon capture and utilisation (CCU) technologies offer a compelling strategy to mitigate rising atmospheric carbon dioxide levels. Despite extensive research on the CO 2 insertion into epoxides form cyclic carbonates, stereochemical implications of this reaction have been largely overlooked, despite prevalence racemic epoxide solutions. This study introduces an in silico approach design asymmetric frustrated Lewis pairs (FLPs) aimed at controlling stereochemistry. Four FLP scaffolds, incorporating diverse acids (LA), bases (LB), substituents, were assessed via volcano plot analysis identify most promising catalysts. By strategically modifying LB substituents induce asymmetry, stereoselective catalytic scaffold was developed, favouring one enantiomer from both enantiomers. work advances FLPs, highlighting their potential as CCU catalysts with for optimising catalyst efficiency selectivity sustainable chemistry applications.

Language: Английский

Amino Turbo Chirality and Its Asymmetric Control DOI Creative Commons
Ting Xu, Yu Wang,

Shengzhou Jin

et al.

Research, Journal Year: 2024, Volume and Issue: 7

Published: Jan. 1, 2024

A series of new targets containing 3 chiral elements central, orientational, and turbo chirality have been designed synthesized asymmetrically. The absolute configurations conformations these types were concurrently controlled by using sulfonimine auxiliary unambiguously determined x-ray diffraction analysis. These include alpha unnatural amino acid derivatives, which may play an important role for drug design, discovery, development. Three propellers framework are covalently connected to a C(sp

Language: Английский

Citations

6
Computational design for enantioselective CO2 capture: asymmetric frustrated Lewis pairs in epoxide transformations DOI Creative Commons
Maxime Ferrer, Íñigo Iribarren, Tim Renningholtz

et al.

Beilstein Journal of Organic Chemistry, Journal Year: 2024, Volume and Issue: 20, P. 2668 - 2681

Published: Oct. 22, 2024

Carbon capture and utilisation (CCU) technologies offer a compelling strategy to mitigate rising atmospheric carbon dioxide levels. Despite extensive research on the CO 2 insertion into epoxides form cyclic carbonates, stereochemical implications of this reaction have been largely overlooked, despite prevalence racemic epoxide solutions. This study introduces an in silico approach design asymmetric frustrated Lewis pairs (FLPs) aimed at controlling stereochemistry. Four FLP scaffolds, incorporating diverse acids (LA), bases (LB), substituents, were assessed via volcano plot analysis identify most promising catalysts. By strategically modifying LB substituents induce asymmetry, stereoselective catalytic scaffold was developed, favouring one enantiomer from both enantiomers. work advances FLPs, highlighting their potential as CCU catalysts with for optimising catalyst efficiency selectivity sustainable chemistry applications.

Language: Английский

Citations

0