Journal of the Iranian Chemical Society

, Volume 9, Issue 1, pp 85–92 | Cite as

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

  • Soraia Meghdadi
  • Vratislav Langer
  • Hossein Farrokhpour
  • Alshimaá A. Massoud
  • Mehdi Amirnasr
Original Paper

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 E1/2 at 0.924 V (vs. SCE).

Keywords

Pd(II) carboxamide complex DFT calculations X-ray crystal structure Cyclic voltammetry 

Supplementary material

13738_2011_8_MOESM1_ESM.txt (22 kb)
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)

References

  1. 1.
    O. Belda, C. Moberg, Coord. Chem. Rev. 249, 727 (2005)CrossRefGoogle Scholar
  2. 2.
    R. Del Litto, V. Benessere, F. Ruffo, C. Moberg, Eur. J. Org. Chem. 1352 (2009)Google Scholar
  3. 3.
    S.H. Lee, J.H. Han, H. Kwak, S.J. Lee, E.Y. Lee, H.J. Kim, J.H. Lee, C. Bae, S.N. Lee, Y. Kim, C. Kim, Chem. Eur. J. 13, 9393 (2007)CrossRefGoogle Scholar
  4. 4.
    J. Singh, G. Hundal, R. Gupta, Eur. J. Inorg. Chem. 2052 (2008)Google Scholar
  5. 5.
    D.-H. Lee, J.H. Lee, B.K. Park, E.Y. Kim, Y. Kim, C. Kim, I.-M. Lee, Inorg. Chim. Acta 362, 5097 (2009)CrossRefGoogle Scholar
  6. 6.
    P. Srinivas, P.R. Likhar, H. Maheswaran, R. Sridhar, K. Ravikumar, M.L. Kantam, Chem. Eur. J. 15, 1578 (2009)CrossRefGoogle Scholar
  7. 7.
    S.L. Jain, P. Bhattacharyya, H.L. Milton, A.M.Z. Slawin, J.A. Crayston, J.D. Woollins, Dalton Trans. 862 (2004)Google Scholar
  8. 8.
    R. Lescouëzec, J. Vaissermann, M. Toma, R. Carrasco, F. Lloret, M. Julve, Inorg. Chem. 43, 2234 (2004)CrossRefGoogle Scholar
  9. 9.
    Z.-H. Ni, H.-Z. Kou, L.-F. Zhang, W.-W. Ni, Y.-B. Jiang, A.-L. Cui, J. Ribas, O. Sato, Inorg. Chem. 44, 9631 (2005)CrossRefGoogle Scholar
  10. 10.
    J.I. Kim, H.S. Yoo, E.K. Koh, H.C. Kim, C.S. Hong, Inorg. Chem. 46, 8481 (2007a)CrossRefGoogle Scholar
  11. 11.
    J.I. Kim, H.S. Yoo, E.K. Koh, C.S. Hong, Inorg. Chem. 46, 10461 (2007b)CrossRefGoogle Scholar
  12. 12.
    N. Alizadeh, H. Teymourian, M. Aghamohammadi, S. Meghdadi, M. Amirnasr, IEEE Sens J 7, 1727 (2007)CrossRefGoogle Scholar
  13. 13.
    H.A. Zamani, M.R. Ganjali, P. Norouzi, S. Meghdadi, J. Appl. Electrochem. 37, 853 (2007)CrossRefGoogle Scholar
  14. 14.
    B. Rezaei, S. Meghdadi, V. Nafisi, Sens. Actuators B121, 600 (2007)Google Scholar
  15. 15.
    B. Rezaei, S. Meghdadi, R. Fazel Zarandi, J. Hazard. Mater. 153, 179 (2008)CrossRefGoogle Scholar
  16. 16.
    A.K. Patra, M.J. Rose, K.A. Murphy, M.M. Olmstead, P.K. Mascharak, Inorg. Chem. 43, 4487 (2004)CrossRefGoogle Scholar
  17. 17.
    S.R. Collinson, J.H.R. Tucker, T. Gelbrich, M.B. Hursthouse, Chem. Commun. 555 (2001)Google Scholar
  18. 18.
    I. Huc, M.J. Krische, D.P. Funeriu, J-M. Lehn, Eur. J. Inorg. Chem. 1415 (1999)Google Scholar
  19. 19.
    M.J. Chmielewski, J. Jurczak, Chem. Eur. J. 11, 6080 (2005)CrossRefGoogle Scholar
  20. 20.
    J. Zhang, Q. Liu, C. Duan, Y. Shao, J. Ding, Z. Miao, X.-Z. You, Z. Guo, J. Chem. Soc. Dalton Trans. 4, 591 (2002)CrossRefGoogle Scholar
  21. 21.
    W. Jacob, R. Mukherjee, Inorg. Chim. Acta 361, 1231 (2008)CrossRefGoogle Scholar
  22. 22.
    D.H. Lee, J.Y. Lee, J.Y. Ryu, Y. Kim, C. Kim, I.M. Lee, Bull. Korean Chem. Soc. 27, 1031 (2006a)CrossRefGoogle Scholar
  23. 23.
    D.H. Lee, C. Kim, I.M. Lee, Stud. Surf. Sci. Catal. 161, 59 (2006b)CrossRefGoogle Scholar
  24. 24.
    S. Meghdadi, H.R. Khavasi, S. Nalchigar, Acta Crystallogr. E 62, o5492 (2006a)CrossRefGoogle Scholar
  25. 25.
    S. Meghdadi, M. Amirnasr, V. Langer, A. Zamanpoor, Can. J. Chem. 84, 971 (2006b)CrossRefGoogle Scholar
  26. 26.
    S. Meghdadi, M. Amirnasr, M.H. Habibi, A. Amiri, V. Ghodsi, A. Rohani, R.W. Harrington, W. Clegg, Polyhedron 27, 2771 (2008)CrossRefGoogle Scholar
  27. 27.
    A. Amiri, M. Amirnasr, S. Meghdadi, K. Mereiter, V. Ghodsi, A. Gholami, Inorg. Chim. Acta 362, 3934 (2009)CrossRefGoogle Scholar
  28. 28.
    S. Meghdadi, M. Amirnasr, K. Mereiter, A. Amiri, V. Ghodsi, Inorg. Chim. Acta 363, 1587 (2010a)CrossRefGoogle Scholar
  29. 29.
    S. Meghdadi, K. Mereiter, A. Amiri, N.S. Mohammadi, F. Zamani, M. Amirnasr, Polyhedron 29, 2225 (2010b)CrossRefGoogle Scholar
  30. 30.
    N.G. Connelly, W.E. Geiger, Chem. Rev. 96, 877 (1996)CrossRefGoogle Scholar
  31. 31.
    Siemens Analytical X-ray Instruments Inc. SMART and SAINT [computer programs] (Siemens Analytical X-ray Instruments Inc., Madison, 1995)Google Scholar
  32. 32.
    G.M. Sheldrick. SADABS. Version 2.10 [computer program]. University of Göttingen, Göttingen, Germany, 2003Google Scholar
  33. 33.
    G.M. Sheldrick, Bruker Analytical X-ray Systems. SHELXTL. Version 6.14 [computer program]. Acta Crystallogr. A 64, 112 (2008)Google Scholar
  34. 34.
    A. Bondi, J. Phys. Chem. 68, 441 (1964)CrossRefGoogle Scholar
  35. 35.
    M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, N.J. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian Development Version, Revision B.01 (Gaussian, Inc., Wallingford, 2009)Google Scholar
  36. 36.
    H. Nakatsuji, Chem. Phys. Lett. 59, 362 (1978)CrossRefGoogle Scholar
  37. 37.
    S. Huzinaga, J. Andz elm, M. Klobukowski, E. Radz io-Andz elm, Y. Sakai, H. Tatewaki, Gaussian Basis Sets for Molecular Calculations (Elsevier, New York, 1984)Google Scholar
  38. 38.
    S.K. Dutta, U. Beckmann, E. Bill, T. Weyhermuller, K. Wieghardt, Inorg. Chem. 39, 3355 (2000)CrossRefGoogle Scholar
  39. 39.
    I.O. Koshevoy, P. Lahuerta, M. Sanaú, M.A. Ubeda, A. Doménech, Dalton Trans. 5536 (2006)Google Scholar
  40. 40.
    N.R. Deprez, M.S. Sanford, J. Am. Chem. Soc. 131, 11234 (2009)CrossRefGoogle Scholar

Copyright information

© Iranian Chemical Society 2012

Authors and Affiliations

  • Soraia Meghdadi
    • 1
  • Vratislav Langer
    • 2
  • Hossein Farrokhpour
    • 1
    • 3
  • Alshimaá A. Massoud
    • 2
  • Mehdi Amirnasr
    • 1
    • 4
  1. 1.Department of ChemistryIsfahan University of TechnologyIsfahanIran
  2. 2.Environmental Inorganic Chemistry, Department of Chemical and Biological EngineeringChalmers University of TechnologyGothenburgSweden
  3. 3.Laboratório Nacional de Luz SíncrotonCampinasBrazil
  4. 4.Department of Chemistry and BiochemistryUniversity of CaliforniaSanta BarbaraUSA

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