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Synthesis, X-ray structure, electrochemistry, and theoretical studies of palladium(II) complex with a tetradentate bis(quinoline-2-carboxamide) ligand

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Abstract

The title complex [Pd(Me2bqb)] (1), [Me2bqb2– = 1,2-bis(quinoline-2-carboxamide)-4,5-dimethyl-benzene dianion], has been synthesized and characterized by elemental analyses and spectroscopic methods, and the crystal and molecular structure of [Pd(Me2bqb)] has been determined by X-ray crystallography. The complex exhibits distorted square-planar PdN4 coordination geometry with two short and two long Pd–N bonds (Pd–N ~1.957 and ~2.095 Å, respectively). In addition to the molecular geometry from X-ray experiment, theoretical studies have been carried out on the structure of the complex at the density functional theory (DFT-B3LYP) level in conjunction with effective core potential basis set (LANL2DZ) for Pd atom and 6-311++G(d,p) basis set for N, O, C and H atoms. Electrochemical studies in CH2Cl2 solution revealed A reversible redox process corresponding to the PdII/PdIII couple with E 1/2 at 0.924 V (vs. SCE).

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Acknowledgments

Partial support of this work by the Isfahan University of Technology Research Council is gratefully acknowledged. Special thanks are also due to Professor Peter C. Ford for providing the SM and MA with the necessary instruments and CHN facilities through the National Science Foundation grant (NSF-CHE-0749524).

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Authors and Affiliations

  1. Department of Chemistry, Isfahan University of Technology, 84156-83111, Isfahan, Iran

    Soraia Meghdadi, Hossein Farrokhpour & Mehdi Amirnasr

  2. Environmental Inorganic Chemistry, Department of Chemical and Biological Engineering, Chalmers University of Technology, 412 96, Gothenburg, Sweden

    Vratislav Langer & Alshimaá A. Massoud

  3. Laboratório Nacional de Luz Síncroton, Campinas, SP, CEP 13083-970, Brazil

    Hossein Farrokhpour

  4. Department of Chemistry and Biochemistry, University of California, Santa Barbara, CA, 93106, USA

    Mehdi Amirnasr

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  1. Soraia Meghdadi
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  2. Vratislav Langer
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  4. Alshimaá A. Massoud
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Correspondence to Mehdi Amirnasr.

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M. Amirnasr is on sabbatical leave from the Department of Chemistry, Isfahan University of Technology, Isfahan, Iran.

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13738_2011_8_MOESM1_ESM.txt

Supplementary crystallographic data for 1 can be obtained free of charge via http://www.ccdc.cam.ac.uk/conts/retrieving.html, or from the Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK; fax: (+44) 1223-336-033; or e-mail: deposit@ccdc.cam.ac.uk (TXT 22 kb)

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Meghdadi, S., Langer, V., Farrokhpour, H. et al. Synthesis, X-ray structure, electrochemistry, and theoretical studies of palladium(II) complex with a tetradentate bis(quinoline-2-carboxamide) ligand. J IRAN CHEM SOC 9, 85–92 (2012). https://doi.org/10.1007/s13738-011-0008-9

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