Carbodicarbene: geminal-Bimetallic Coordination in Selective Manner.
Chemistry
; 26(72): 17350-17355, 2020 Dec 23.
Article
em En
| MEDLINE
| ID: mdl-32537790
ABSTRACT
The reaction of Pd(OAc)2 with free carbodicarbene (CDC) generates a Pd acetate trinuclear complexâ
1 via intramolecular C(sp3 )-H bond activation at one of the CDC methyl side arms. The solid structure of 1 reveals the capability of CDC to facilitate a double dative bond with two palladium centers in geminal fashion. This is attributed to the chelating mode of CDC, which can frustrate π-conjugation within the CDC framework. Such effect maybe also amplified by ligand-ligand interaction. The formation of other gem-bimetallic Pd-Pd, Pd-Au, and Ni-Au provides further structural evidence for this proof-of-concept in selective installation. Structural analysis is supported by computational calculations based on state-of-the-art energy decomposition analysis (EDA) in conjunction with natural orbitals for chemical valence (NOCV) method.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Chemistry
Ano de publicação:
2020
Tipo de documento:
Article