Orbital‐Driven Insights into Enantioselective Hydrofunctionalization of Alkenes Catalyzed by Co‐Salen Complexes: Study on Singlet and Triplet States DOI Open Access
Shivangi Gupta, Parveen Rawal, Puneet Gupta

et al.

ChemPlusChem, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 10, 2024

The Co(salen) ([LCo(II)]) mediated hydrofunctionalization of alkenes is a highly significant method for forming enantioselective products. In this work, we conducted comprehensive computational investigations to gain insights the reaction mechanism. orbital analysis and intrinsic bond (IBO) were utilized unravel flow electrons during progress reaction. We explored various spin state surfaces understand possible pathways Initially, [LCo(II)] reacts with an oxidant tertbutyl peroxybenzoate, yielding [LCo(III)OC(O)Ph] [LCo(III)O

Language: Английский

Efficient CH4 oxidation to C1/C2 oxygenates over cluster-dispersing Rh decorated ZSM-5 DOI Creative Commons
Xin Zhang, Chao Hu,

Jingting Jin

et al.

RSC Advances, Journal Year: 2025, Volume and Issue: 15(2), P. 1301 - 1310

Published: Jan. 1, 2025

Converting methane directly into liquid oxygenated products such as methanol and acetic acid is an energy-efficient method with significant potential for various industrial applications.

Language: Английский

Citations

0

Orbital‐Driven Insights into Enantioselective Hydrofunctionalization of Alkenes Catalyzed by Co‐Salen Complexes: Study on Singlet and Triplet States DOI Open Access
Shivangi Gupta, Parveen Rawal, Puneet Gupta

et al.

ChemPlusChem, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 10, 2024

The Co(salen) ([LCo(II)]) mediated hydrofunctionalization of alkenes is a highly significant method for forming enantioselective products. In this work, we conducted comprehensive computational investigations to gain insights the reaction mechanism. orbital analysis and intrinsic bond (IBO) were utilized unravel flow electrons during progress reaction. We explored various spin state surfaces understand possible pathways Initially, [LCo(II)] reacts with an oxidant tertbutyl peroxybenzoate, yielding [LCo(III)OC(O)Ph] [LCo(III)O

Language: Английский

Citations

0