Study of the conformationally flexible, wide bite-angle diphosphine 4,6-bis(3-diisopropylphosphinophenyl)dibenzofuran in rhodium(I) and palladium(II) coordination complexes

Keying Ding, Deanna L. Miller, Victor G. Young, Connie C. Lu

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16 Scopus citations

Abstract

The diphosphine 4,6-bis(3-diisopropylphosphinophenyl)dibenzofuran (abbreviated as iPrDPDBFphos) was prepared and studied for its potential as a trans-chelating ligand in transition-metal coordination complexes. In the rhodium norbornadiene complex [(iPrDPDBFphos) Rh(NBD)]BF4, which has been characterized with multinuclear NMR spectroscopy, X-ray crystallography, and electrochemical studies, the ligand binds in cis fashion. In the bis(acetonitrile) complexes of rhodium and palladium [(iPrDPDBFphos)M(CH3CN)2](BF 4)n (M = Rh, Pd; n = 1, 2), the ligand adopts a trans coordination geometry. Density functional theory (DFT, M06-L) calculations predict that the trans conformer is energetically more favorable than the cis by 3.5 kcal/mol. Cyclic voltammograms of the bis(acetonitrile) Pd(II) and Rh(I) complexes contain reversible and quasi-reversible reduction events, respectively, which are preliminarily assigned as metal-based redox reactions.

Original languageEnglish (US)
Pages (from-to)2545-2552
Number of pages8
JournalInorganic Chemistry
Volume50
Issue number6
DOIs
StatePublished - Mar 21 2011

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