Bis(benzimidazolyl)amine copper complexes with a synthetic 'histidine brace' structural motif relevant to polysaccharide monooxygenases

Summary, in English

Reaction of Cu2+ salts with the benzimidazole-N-methylated bis[(1-methyl-2-benzimidazolyl)ethyl]amine ligand 2BB results in either bi- or monometallic complexes. Spectroscopic and solid state characterization reveals either square pyramidal or trigonal bipyramidal coordination geometries around the cupric ions. In [{2BBCu(mu-F)}(2)](BF4)(2), the dicopper structure is determined by the bridging nature of the fluoro ligands, which complement the T-shape arrangement of N-3 donors provided by 2BB to define a square pyramidal (or capped distorted tetrahedral) coordination geometry. The monocopper complexes 2BBCuCl(2) and [2BBCu(H2O)(2)](OTf)(2) are characterized by a trigonal bipyramidal geometry both in solution and in the solid state. In all complexes, the T-shape N-3 donor set of 2BB is analogous to the coordination environment of the copper ions provided by a 'histidine brace' and an additional histidine imidazole in the active site of polysaccharide monooxygenases. (C) 2014 Elsevier B. V. All rights reserved.

• Author: Ivan Castillo; Andrea C. Neira; Ebbe Nordlander; Erica Zeglio
• Department/s: Chemical Physics
• Publishing year: 2014
• Language: English
• Pages: 152-157
• Publication/Series: Inorganica Chimica Acta
• Volume: 422
• Links: http://dx.doi.org/10.1016/j.ica.2014.06.027
• Document type: Journal article
• Publisher: Elsevier
• Topic: Atom and Molecular Physics and Optics
• Keywords: Copper complexes; Benzimidazoles; X-ray crystal structures; Tridentate; ligands
• Status: Published
• ISBN/ISSN/Other: ISSN: 0020-1693