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Synthesis, Characterization and Single Crystal X-Ray Structures of Trifluroacetylacetonate Copper(II) Complexes

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Abstract

Three Cu(II) complexes of 1,1,1-trifluoroacetylacetonate, viz. [Cu(TFACAC)2(MeOH)] (1), [Cu(TFACAC)2(py)] (2) and [Cu(TFACAC)2(DABCO)] (3) were synthesized and characterized by elemental analysis, IR, UV–Visible spectroscopy and cyclic voltammetry. Structures of complexes 1–3 were established by single crystal X-ray diffraction wherein 1 and 2 adapt square pyramidal geometry. Complex 1 crystallizes in triclinic space group P-1, with a = 8.5059(6) Å, b = 9.3025(7) Å, c = 10.9906(8) Å, α = 75.684(2)°, β = 73.191(2)°, γ = 64.992(2)°, and Z = 2. X-ray crystallographic studies revealed that in complex 1, both, TFACC ligands and coordinated methanol are disordered over two conformations giving a combination of two isomers with cis to trans isomer ratio of 0.538:0.462. In complex 3 DABCO is acting as a bridging ligand connecting two Cu(II) centers thereby forming a 1-D polymer chain with each copper in octahedral coordination. The cyclic voltammograms of 1 and 3 give a quasi-reversible Cu(II)/Cu(I) peak with E1/2 + 0.01 V and − 0.05 V respectively whereas complex 2 gives a one electron reversible Cu(II)/Cu(I) couple at E1/2 = − 0.25 V.

Graphical Abstract

Three Cu(II) complexes of (1,1,1-trifluoroacetylacetonato) ligand with methanol, pyridine and DABCO occupying the axial positions are reported.

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Data Availability

CCDC-2100707, CCDC-2100708, CCDC-2100709 contains supplementary crystallographic data for 1, 2 and 3. These data can be obtained free of charge via http://www.ccdc.cam.ac.uk/data_request/cif, or from Cambridge Crystallographic Data Center (CCDC), 12 Union Road, Cambridge CB2 1EZ, UK [Fax: (+ 44) 1223-336-033; Email: deposit@cdc.cam.ac.uk].

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Acknowledgements

AAK acknowledges financial support under UGC-CAS IV (F: 540/11/CAS-IV/2016(SAP-1)), DST-FIST (No.SR/FST/CSII-025/2013(C)) and DST-PURSE (SR/PURSE-Phase-II/7(C)). We acknowledge Mr. Vishwanath Mane and Prof. A. S. Kumbhar for their help in electrochemical measurements.

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Authors and Affiliations

  1. Department of Chemistry, Savitribai Phule Pune University, Pune, 411007, India

    Neha Kumari & Anupa A. Kumbhar

  2. CSIR-National Chemical Laboratory, Dr. Homi Bhabha Marg, Pashan, Pune, 411008, India

    Vir Bahadur

  3. Department of Chemistry, Howard University, 2400 Sixth Street NW, Washington, DC, 20059, USA

    Raymond J. Butcher

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  1. Neha Kumari
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  2. Vir Bahadur
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  3. Raymond J. Butcher
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  4. Anupa A. Kumbhar
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Correspondence to Anupa A. Kumbhar.

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This manuscript is dedicated to Late Professor Jerry P. Jasinski

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Kumari, N., Bahadur, V., Butcher, R.J. et al. Synthesis, Characterization and Single Crystal X-Ray Structures of Trifluroacetylacetonate Copper(II) Complexes. J Chem Crystallogr 52, 525–533 (2022). https://doi.org/10.1007/s10870-022-00937-1

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