Skip to main content
SpringerLink
Log in

Distribution of ligands in polynuclear palladium complexes: DFT study of isomerism of Pd4(L)4(RCO2)4 (L = CO, CH2, NO) complexes

  • Full Article
  • Published:
Russian Chemical Bulletin Aims and scope

Abstract

Structural isomerism of the Pd4(L)4(RCO2)4 (L = CO, CH2, NO; R = CC13, CF3, CH3) complexes was studied in the framework of the density functional theory (DFT). Among the Pd4(CO)4(RCO2)4 and Pd4(CH2)4(RCO2)4 complexes the most stable were the isomers with alternate coordination of pairs of carbonyl and carboxylate ligands on the sides of a planar rectangular metal core. The isomers with the pairwise coordination of NO/RCO2 on one side of the metal core are the most stable between the Pd4(NO)4(RCO2)4 complexes. The features of mutual coordination of ligands in polynuclear complexes of palladium are clarified using the obtained results.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. R. D. Adams, F. A. Cotton, Catalysis by Di- and Polynuclear Metal Cluster Complexes, Wiley-VCH, New York, 1998, 555 pp.

    Google Scholar 

  2. P. Braunstein, L. A. Oro, P. R. Raithby, Metal Clusters in Chemistry, Wiley-VCH, Weinheim, 1999, 1798 pp.

    Book  Google Scholar 

  3. O. N. Shishilov, S. G. Sakharov, T. A. Stromnova, Russ. J. Coord. Chem., 2007, 33, 795.

    Article  CAS  Google Scholar 

  4. I. I. Moiseev, T. A. Stromnova, M. N. Vargaftik, G. Ja. Mazo, L. G. Kuz’mina, Yu. T. Struchkov, J. Chem. Soc., Chem. Commun., 1978, 1, 27.

    Article  Google Scholar 

  5. T. A. Stromnova, O. N. Shishilov, M. V. Dayneko, K. Yu. Monakhov, A. V. Churakov, L. G. Kuz’mina, J. A. K. Howard, J. Organomet. Chem., 2006, 691, 3730.

    Article  CAS  Google Scholar 

  6. T. A. Stromnova, L. I. Boganova, O. N. Shishilov, N. A. Minaeva, A. V. Churakov, L. G. Kuz’mina, J. A. K. Howard, Russ. J. Inorg. Chem., 2005, 50, 179.

    Google Scholar 

  7. T. A. Stromnova, N. Yu. Tikhonova, D. I. Kochubey, I. I. Moiseev, Dokl. Chem., 1994, 335, 1.

    Google Scholar 

  8. I. I. Moiseev, J. Organomet. Chem., 1995, 488, 183.

    Article  CAS  Google Scholar 

  9. T. A. Stromnova, I. N. Busygina, D. I. Kochubey, I. I. Moiseev, J. Organomet. Chem., 1991, 417, 193.

    Article  CAS  Google Scholar 

  10. T. A. Stromnova, I. N. Busygina, D. I. Kochubey, I. I. Moiseev, Mendeleev Commun., 1991, 1, 1.

    Article  Google Scholar 

  11. M. V. Dayneko, T. A. Stromnova, L. S. Alekseev, R. S. Shamsiev, A. P. Belov, D. I. Kochubey, B. N. Novgorodov, Russ. J. Inorg. Chem., 2005, 50, 365.

    Google Scholar 

  12. T. A. Stromnova, D. V. Paschenko, L. I. Boganova, M. V. Daineko, S. B. Katser, A. V. Churakov, L. G. Kuz’mina, J. A. K. Howard, Inorg. Chim. Acta, 2003, 350, 283.

    Article  CAS  Google Scholar 

  13. T. A. Stromnova, M. V. Dayneko, A. V. Churakov, L. G. Kuz’mina, J. Campora, P. Palma, E. Carmona, Inorg. Chim. Acta, 2006, 359, 1613.

    Article  CAS  Google Scholar 

  14. O. N. Shishilov, N. S. Akhmadullina, Ya. N. Rezinkova, R. E. Podobedov, A. V. Churakov, I. A. Efimenko, Dalton Trans., 2013, 3712.

  15. D. N. Laikov, Chem. Phys. Lett., 1997, 281, 151-156.

    Article  CAS  Google Scholar 

  16. D. N. Laikov, Yu. A. Ustynyuk, Russ. Chem. Bull., 2005, 54, 820.

    Article  CAS  Google Scholar 

  17. D. N. Laikov, Chem. Phys. Lett., 2005, 416, 116.

    Article  CAS  Google Scholar 

  18. J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett., 1996, 77, 3865.

    Article  CAS  Google Scholar 

  19. O. N. Shishilov, R. S. Shamsiev, N. S. Akhmadullina, V. A. Naumova, V. R. Flid, J. Mol. Struct, 2018, 1173, 974.

    Article  CAS  Google Scholar 

  20. O. N. Shishilov, N. S. Akhmadullina, V. R. Flid, Russ. Chem. Bull., 2020, 69, 287.

    Google Scholar 

  21. X. Yin, S. A. Warren, Y.-T. Pan, K.-C. Tsao, D. L. Gray, J. Bertke, H. Yang, Angew. Chem., Int. Ed., 2014, 53, 14087.

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. M. V. Lomonosov Institute of Fine Chemical Technologies, MIREA - Russian Technological University, 86 prosp. Vernadskogo, 117561, Moscow, Russian Federation

    O. N. Shishilov & V. R. Flid

  2. A. A. Baikov Institute of Metallurgy and Material Science of the Russian Academy of Sciences, 49 leninsky prosp., 119991, Moscow, Russian Federation

    N. S. Akhmadullina

Authors
  1. O. N. Shishilov
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. N. S. Akhmadullina
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. V. R. Flid
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to O. N. Shishilov.

Additional information

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 0229–0236, February, 2020.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Shishilov, O.N., Akhmadullina, N.S. & Flid, V.R. Distribution of ligands in polynuclear palladium complexes: DFT study of isomerism of Pd4(L)4(RCO2)4 (L = CO, CH2, NO) complexes. Russ Chem Bull 69, 229–236 (2020). https://doi.org/10.1007/s11172-020-2750-6

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11172-020-2750-6

Keywords

Search

Navigation