Synthesis, crystal structures and luminescent properties of the copper(I) pyrazolonate complexes

© 2014 Elsevier B.V. All rights reserved. New copper(I) complexes with pyrazolonate ligands [Cu(Pri-PMP)(DPEphos)] (1) and [Cu(But-PMP)(DPEphos)] (2) (Pri-PMP = 1-phenyl-3-methyl-4-isobutyryl-5-pyrazolonato, But-PMP = 1-phenyl-3-methyl-(2,2-dimethylpropan-1-oyl)-5-pyrazolonato; DPEphos = bis[2-(diphenylphosphino)-pheny]ether) were synthesized and structurally characterized. An unusual η1 coordination of pyrazolonate ligand to the copper atom was found in complex 2. Photo- and electroluminescent properties of the synthesized compounds were investigated. In crystalline form compounds 1 and 2 revealed dual emission consisting of the bands at 445-450 and 485-488 nm which were assigned to transitions from the S1 and T1 states. DFT and TD DFT calculations as well as electrochemical studies correlate with the photophysical data. Synthesized copper(I) complexes generated electroluminescence of yellowish-orange (1) and yellow (2) colors with the maximum luminance of 286 and 39 cd/m2, respectively