Structure, bonding, and ligand-based reactions of zwitterionic boratoiridium(I) complexes with oxazolinyl scorpionate ligands

TitleStructure, bonding, and ligand-based reactions of zwitterionic boratoiridium(I) complexes with oxazolinyl scorpionate ligands
Publication TypeJournal Article
Year of Publication2009
AuthorsPawlikowski AV, Gray TS, Schoendorff G, Baird B, Ellern A, Windus TL, Sadow AD
Journal TitleInorganica Chimica Acta
Volume362
Pages4517-4525
Date Published09/15
ISBN Number0020-1693
Accession NumberISI:000270168100032
Keywordsactivation, chemistry, cobalt(2), copper(2), hapticity, heterocyclic ligands, iridium compounds, nickel(2), oxazoline, protonation, ray crystal-structure, rhodium complex, scorpionate
Abstract

New tris(4,4-dimethyl-2-oxazolinyl) phenylboratoiridium(I) scorpionate-type compounds [Ir(To(M))L-2] (L-2 = eta(4)-C8H12 and (CO)(2)) and electrophiles form adducts that contain a bidentate IrTo(M)-coordination and an N-electrophile interaction of the third oxazoline instead of the oxidative addition product. The adduct with lithium chloride gives a unique heterobimetallic Li-O-oxazoline-N-Ir bridging structure that has been identified through X-ray crystallography. Density functional theory calculations provide thermodynamic data, orbital symmetries, and orbital energies that explain the formation of the observed iridium( I) products. (C) 2009 Elsevier B. V. All rights reserved.

URL<Go to ISI>://000270168100032
DOI10.1016/J.Ica.2009.06.017