A resorcinarene-based tetrabenzoimidazolylidene complex of rhodium. Issue 10 (24th February 2020)

• Record Type: Journal Article
• Authors: Ruiz-Botella, Sheila; Vidossich, Pietro; Ujaque, Gregori; Peris, Eduardo
• Is Part Of: Dalton transactions. Volume 49:Issue 10(2020)
• Page Start: 3181
• Page End: 3186
• Publication Date: 2020-02-24
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/d0dt00060d
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : A resorcinarene-based macromolecule bearing four rhodium benzoimidazolylidenes was obtained, and its fluxional behaviour was rationalized by means of DFT calculations. Abstract : A tetrabenzoimidazolium-resorcinarene cavitand was used for the preparation of a tetra-benzoimidazolylidene of rhodium, which is unprecedented in the field of poly-NHC metal complexes. Both the experimental and computational analyses of the molecule reveal a distorted vase conformation as the most stable one, although several non-interconverting conformational isomers due to the restricted rotation about the Rh–C(carbene) bond coexist in the product. There is a fluxional behaviour involving the vase-kite interconversion. The main interactions between the arms of the cavitand are mostly concentrated on the terminal organometallic fragments attached to NHC, along with those between –CH3 and a N-heterocyclic carbene ring from benzoimidazoles.