Ontology highlight
ABSTRACT:
SUBMITTER: Sorbelli D
PROVIDER: S-EPMC6617728 | biostudies-literature | 2019 Jul
REPOSITORIES: biostudies-literature
Sorbelli Diego D Nunes Dos Santos Comprido Laura L Knizia Gerald G Hashmi A Stephen K ASK Belpassi Leonardo L Belanzoni Paola P Klein Johannes E M N JEMN
Chemphyschem : a European journal of chemical physics and physical chemistry 20190613 13
Using computational approaches, we qualitatively and quantitatively assess the bonding components of a series of experimentally characterized Au(I) diarylallenylidene complexes (N.Kim, R.A.Widenhoefer, Angew. Chem. Int. Ed. 2018, 57, 4722-4726). Our results clearly demonstrate that Au(I) engages only weakly in π-backbonding, which is, however, a tunable bonding component. Computationally identified trends in bonding are clearly correlated with the substitution patterns of the aryl substituents i ...[more]