Dissecting reactions with the independent gradient model: the case of the stereoselective insertion of a Fischer-type carbene ligand into a Mn–C bond
The Independent Gradient Model, applied to the dynamics of carbene ligand insertion into a C-Mn bond, reveals details of electron density redistribution events, challenging earlier assumptions. The unique stereoselectivity of the reaction is rationalised by the joint use of the new Steric-Exclusion Localisation Function.
Authors
- Éric Hénon (ORCID: https://orcid.org/0000-0001-9308-6947)
- Yann Cornaton (ORCID: https://orcid.org/0000-0002-6597-6536)
- Jean‐Pierre Djukic
- Sara Figueirêdo de Alcântara Morais (ORCID: https://orcid.org/0000-0002-8304-7773)
Institutions
- Centre National de la Recherche Scientifique (FR)
- Institut de Chimie de Strasbourg (FR)
- Institut de Chimie (FR)
- Institut de Chimie Moléculaire de Reims (FR)
- Université de Reims Champagne-Ardenne (FR)
Publication Details
- Journal
- Physical Chemistry Chemical Physics
- Published
- 2025-11-24
- DOI
- https://doi.org/10.1039/d5cp03547c
- Citations
- 1
- Primary Topic
- Organometallic Complex Synthesis and Catalysis
- Type
- article
- Field-Weighted Citation Impact
- 0.94