Three-centre electron sharing indices (3c-ESIs) as a tool to differentiate among (an)agostic interactions and hydrogen bonds in transition metal complexes-Reference-Cited by-同舟云学术

Three-centre electron sharing indices (3c-ESIs) as a tool to differentiate among (an)agostic interactions and hydrogen bonds in transition metal complexes

Published:2022 Issue:48 Volume:24 Page:29333-29337
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

García-Rodeja Yago¹^ORCID,Feixas Ferran¹,Matito Eduard²³^ORCID,Solà Miquel¹^ORCID

Affiliation:

1. Institut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, Campus Montilivi, 17003 Girona, Catalonia, Spain

2. Donostia International Physics Center (DIPC), Donostia, Euskadi, Spain

3. Ikerbasque Foundation for Science, 48011 Bilbao, Euskadi, Spain

Abstract

The agostic bond plays an important role in chemistry. Here we propose the use of three-centre electron sharing indices to classify M⋯H–X (X = C, N) interactions among agostic, anagostic, and hydrogen bonds.

Funder

Departament d'Innovació, Universitats i Empresa, Generalitat de Catalunya

Ministerio de Ciencia e Innovación

Eusko Jaurlaritza

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP05221K

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1. A Five-Coordinated d6 Complex: Structure of Dichlorotris(triphenylphosphine)ruthenium (II)