Synthesis and structural characterization of new heteroleptic copper(I) complexes based on mixed phosphine/thiocarbamoyl-pyrazoline ligands

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• 作者：Lis R.V. Favarin^a ; Persiely P. Rosa^a ; Lucas Pizzuti^a ; Amilcar Machulek Jr.^a ; Anderson R.L. Caires^a ; L.S. Bezerra^a ; L.M.C. Pinto^a ; G. Maia^a ; Claudia C. Gatto^b ; Davi F. Back^c ; Ademir dos Anjos^d ; Gleison Antô ; nio Casagrande^a ; ^{gleisoncasag@gmail.com} ; ^{gleison.casagrande@ufms.br}
• 关键词：Copper(I) complexes ; Thiocarbamoyl-pyrazoline ; Copper(I) emissive compounds ; Luminescent copper(I) ; Copper Voltammetry
• 刊名：Polyhedron
• 出版年：2017
• 出版时间：10 January 2017
• 年：2017
• 卷：121
• 期：Complete
• 页码：185-190
• 全文大小：1127 K
• 卷排序：121

文摘

Two novel mononuclear heteroleptic Cu(I) complexes based on mixed phosphine/thiocarbamoyl-pyrazoline ligands were synthesized and structurally characterized. For both complexes, similar structural behavior was observed around Cu(I) atoms, which exhibited a distorted tetrahedral coordination geometry identified using τ4 parameter analysis. Interesting photophysical properties, including strong absorption in the UV–Vis spectral range (200–450 nm) and orange-red emission, were observed in the solid state upon excitation of the prepared compounds at λex = 290 nm. As shown by TD-DFT studies, the absorption and emission behavior of the Cu(I) complexes proved primarily related to HOMO and HOMO−1 to LUMO ((M+X)LCT Cu(d10) → π∗(SCN)) transitions. Complete characterization of the compounds also included X-ray studies, elemental analysis, IR spectroscopy, cyclic voltammetry, and absorption/emission investigation.