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

in: Dalton Transactions (2016)
Schulz, Martin; Dröge, Fabian; Schindler, Julian; Görls, Helmar; Herrmann-Westendorf, Felix; Presselt, Martin
Facile synthetic access to four novel, neutral, heteroleptic copper(I)-complexes, incorporating 4H-imidazolates as well as the bisphosphane 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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