Three-centre electron sharing indices (3c-ESI) as a tool to differentiate among (an)agostic interactions and hydrogen bonds in transition metal complexes
The agostic bond plays an important role in chemistry, not only in transition metal chemistry but also in main group chemistry. In some complexes with M···H-X (X = C, N) interactions, differentiation between agostic, anagostic, and hydrogen bond is challenging. Here we propose the use of three-centr...
| Autores: | , , , |
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| Formato: | artículo |
| Estado: | Versión aceptada para publicación |
| Fecha de publicación: | 2022 |
| País: | España |
| Recursos: | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| Repositorio: | Recercat. Dipósit de la Recerca de Catalunya |
| OAI Identifier: | oai:recercat.cat:10256/22321 |
| Acesso em linha: | http://hdl.handle.net/10256/22321 |
| Access Level: | acceso abierto |
| Palavra-chave: | Enllaços químics Metalls de transició Chemical bonds Transition metals |
| Resumo: | The agostic bond plays an important role in chemistry, not only in transition metal chemistry but also in main group chemistry. In some complexes with M···H-X (X = C, N) interactions, differentiation between agostic, anagostic, and hydrogen bond is challenging. Here we propose the use of three-centre electron sharing indices to classify M···H-X (X = C, N) interactions |
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