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

  • Kansu Gör
  • Mahir Tursun
  • Gürkan Keşan
  • Güneş Süheyla Kürkçüoğlu
  • Lydia Rhyman
  • Cemal Parlak
  • Ponnadurai Ramasami
  • Okan Zafer Yeşilel
  • Orhan Büyükgüngör
Article
  • 171 Downloads

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.

Keywords

Tetracyanopalladate(II) complex Crystal structure Vibrational spectra DFT 

Notes

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.

Supplementary material

10904_2015_229_MOESM1_ESM.doc (76 kb)
Supplementary material 1 (DOC 76 kb)

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Copyright information

© Springer Science+Business Media New York 2015

Authors and Affiliations

  • Kansu Gör
    • 1
  • Mahir Tursun
    • 2
  • Gürkan Keşan
    • 3
  • Güneş Süheyla Kürkçüoğlu
    • 4
  • Lydia Rhyman
    • 5
  • Cemal Parlak
    • 2
  • Ponnadurai Ramasami
    • 5
    • 6
  • Okan Zafer Yeşilel
    • 7
  • Orhan Büyükgüngör
    • 8
  1. 1.Institute of ScienceEskişehir Osmangazi UniversityEskişehirTurkey
  2. 2.Department of PhysicsDumlupınar UniversityKütahyaTurkey
  3. 3.Institute of Physics and Biophysics, Faculty of ScienceUniversity of South BohemiaČeské BudějoviceCzech Republic
  4. 4.Department of Physics, Faculty of Arts and SciencesEskişehir Osmangazi UniversityEskişehirTurkey
  5. 5.Computational Chemistry Group, Department of Chemistry, Faculty of ScienceUniversity of MauritiusRéduitMauritius
  6. 6.Department of Pharmaceutical Chemistry, College of PharmacyKing Saud UniversityRiyadhSaudi Arabia
  7. 7.Department of Chemistry, Faculty of Arts and SciencesEskişehir Osmangazi UniversityEskişehirTurkey
  8. 8.Department of Physics, Faculty of Arts and SciencesOndokuz Mayıs UniversitySamsunTurkey

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