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Novel Cyanide-Bridged Heterometallic Two-Dimensional Complex of 3-Methylpyridazine: Synthesis, Crystallographical, Vibrational, Thermal and DFT Studies

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Abstract

A novel Cu/Pd heterometallic cyanide-bridged complex of 3-methylpyridazine (3-mpdz), [Cu(3-mpdz)2Pd(µ-CN)4]n, was synthesized and its structure was characterized by FT-IR, Raman, single-crystal X-ray diffraction and thermal/elemental analysis techniques. The conformers, optimized geometric parameters, normal mode frequencies and corresponding vibrational assignments of the complex were examined by means of the density functional theory method, the Becke-3–Lee–Yang–Parr (B3LYP) functional and the LANL2DZ basis set. Reliable vibrational assignments were investigated by the potential energy distribution analysis. The complex crystallizes in the triclinic space group P-1 with the unit cell parameters a = 6.6836(4) Å, b = 7.7777(5) Å, c = 8.9009(6) Å, α = 113.573(5)°, β = 94.565(6)° and γ = 92.437(5)°. There is a good interplay between experimental and theoretical findings to understand the complex at molecular level. The synthesised complex with potential industrial applications will add to the literature of the cyanide-bridged tetracyanometallates.

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Acknowledgments

This work was supported by the Research Fund of Eskisehir Osmangazi University (Project No. 201219A109). CP and MT, LR and PR, and GK acknowledge the facilities from Dumlupinar University, University of Mauritius and King Saud University and University of South Bohemia, respectively. The authors acknowledge the useful comments from the reviewers to improve the manuscript.

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Authors and Affiliations

  1. Institute of Science, Eskişehir Osmangazi University, 26480, Eskişehir, Turkey

    Kansu Gör

  2. Department of Physics, Dumlupınar University, 43100, Kütahya, Turkey

    Mahir Tursun & Cemal Parlak

  3. Institute of Physics and Biophysics, Faculty of Science, University of South Bohemia, Branišovská 31, 370 05, České Budějovice, Czech Republic

    Gürkan Keşan

  4. Department of Physics, Faculty of Arts and Sciences, Eskişehir Osmangazi University, 26480, Eskişehir, Turkey

    Güneş Süheyla Kürkçüoğlu

  5. Computational Chemistry Group, Department of Chemistry, Faculty of Science, University of Mauritius, Réduit, 80837, Mauritius

    Lydia Rhyman & Ponnadurai Ramasami

  6. Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh, 11451, Saudi Arabia

    Ponnadurai Ramasami

  7. Department of Chemistry, Faculty of Arts and Sciences, Eskişehir Osmangazi University, 26480, Eskişehir, Turkey

    Okan Zafer Yeşilel

  8. Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55139, Samsun, Turkey

    Orhan Büyükgüngör

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  1. Kansu Gör
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Correspondence to Ponnadurai Ramasami.

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Gör, K., Tursun, M., Keşan, G. et al. Novel Cyanide-Bridged Heterometallic Two-Dimensional Complex of 3-Methylpyridazine: Synthesis, Crystallographical, Vibrational, Thermal and DFT Studies. J Inorg Organomet Polym 25, 1205–1217 (2015). https://doi.org/10.1007/s10904-015-0229-y

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