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Dalton Trans. 2016 Mar 21;45(11):4835-42. doi: 10.1039/c5dt04435a. Epub 2016 Feb 12.

Neutral, heteroleptic copper(i)-4H-imidazolate complexes: synthesis and characterization of their structural, spectral and redox properties.

Dalton transactions (Cambridge, England : 2003)

M Schulz, F Dröge, F Herrmann-Westendorf, J Schindler, H Görls, M Presselt

Affiliations

  1. Institute for Physical Chemistry and Abbe Center of Photonics, Friedrich-Schiller University Jena, Helmholtzweg 4, 07743 Jena, Germany. [email protected].

PMID: 26869242 DOI: 10.1039/c5dt04435a

Abstract

Facile synthetic access to four novel, neutral, heteroleptic copper(i)-complexes, incorporating 4H-imidazolates as well as the phosphane ligands XantPhos and DPEPhos is reported. The complexes were characterized in the solid state as well as in solution by means of single crystal X-ray diffraction as well as NMR spectroscopy, mass spectrometry and elemental analysis. The copper(i)-4H-imidazolate complexes show a broad intense absorption that spans almost the entire visible range. TD-DFT calculations revealed the charge transfer character of the underlying transitions. NMR as well as electrochemical investigations and UV-Vis absorption suggest a polarization of the complexes with the negative charge pushed towards the 4H-imidazolate moiety.

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