Skip to main content
SpringerLink
Log in

Synthesis, Crystal Structure, Hirshfeld Surface Analysis and DFT Calculations of Two New Cu(II) and Cd(II) Complexes with the 4-Amino-6-methoxypyrimidine Ligand

  • Published:
Russian Journal of Coordination Chemistry Aims and scope Submit manuscript

Abstract

Two new mononuclear complexes, [Cu2Cl1.23(NO3)0.77(Ampy)4(H2O)4](NO3)2·4H2O (I) and [CdI2(Ampy)2] (II) (Ampy = 4-amino-6-methoxypyrimidine) have been synthesized and characterized by single crystal X-ray diffraction studies (CCDC nos. 2023331 (I), 2023331 (II)) at 295 K for (I) and 100 K for (II). The structure of the Cu(II) complex shows that the Cu(II) central atom is five-coordinated with a distorted square pyramidal geometry. In compound (II) the Cd(II) cations are tetracoordinated with a distorted tetrahedral fashion. Intermolecular interactions were investigated by Hirshfeld surfaces. Electronic properties such as HOMO and LUMO energies were derived.

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

Fig. 1.
Fig. 2.
Fig. 3.
Fig. 4.
Fig. 5.

Similar content being viewed by others

REFERENCES

  1. Bridgewater, B.M. and Parkin, G., J. Am. Chem. Soc., 2000, vol. 122, no. 29, p. 7140.

    Article  CAS  Google Scholar 

  2. Roy, S., Antonio, B., Frontera, A., and Chattopadhyay, S., Inorg. Chim. Acta, 2016, vol. 450, p. 321.

    Article  CAS  Google Scholar 

  3. Hart, L.R., Harries, J.L., Greenland, B.W., et al., ACS Appl. Mater. Interfaces, 2015, vol. 7, p. 8906.

    Article  CAS  Google Scholar 

  4. Pan, L., Olson, D.H., and Ciemnolonski, L.R., Angew. Chem., Int., 2006, vol. 45, p. 616.

    Article  CAS  Google Scholar 

  5. Zhuo, H.Y., Su, H.F., Cao, Z.Z., et al., Chemistry, 2016, vol. 22, p. 17619.

    Article  CAS  Google Scholar 

  6. McQuade, L.E. and Lippard, S.J., Inorg. Chem., 2010, vol. 49, p. 7464.

    Article  CAS  Google Scholar 

  7. Pal, P.K., Mohapatra, S., Jana, A.D., and Patra, G.K., J. Mol. Struct., 2012, vol. 1015, p. 156.

    Article  CAS  Google Scholar 

  8. Näther, C., Wöhlert, S., Boechmann, J., Wriedt, M.I., and Jeß, Z., Anorg. Allg. Chem., 2013, vol. 639, no. 15, p. 2696.

    Article  Google Scholar 

  9. Rochon, F.D. and Fakhfakh, M., Inorg. Cmim. Acta., 2009, vol. 362, p. 1455.

    Article  CAS  Google Scholar 

  10. Nbili, W., Kaabi, K., Ferenc, W., et al., J. Mol. Struct., 2017, vol. 1130, p. 114.

    Article  CAS  Google Scholar 

  11. CrysAlisPro, Agilent Technologies, Version 1.171.37.35 (release 13-08-2014) CrysAlis171.NET, compiled August 13, 2014,18:06:01; CrysAlisPro 1.171.38.41, Rigaku OD, 2015.

  12. Sheldrick, G.M., Acta Crystallogr., Sect. A: Found. Crystallogr., 2008, vol. 64, p. 112.

    Article  CAS  Google Scholar 

  13. Sheldrick, G.M., SHELXL-97, Göttingen: Univ. of Göttingen, 1997.

    Google Scholar 

  14. Sheldrick, G.M., Acta Crystallogr., Sect. C: Struct. Chem., 2015, vol. 71, p. 3.

    Article  Google Scholar 

  15. Brandenburg, K., Diamond, version 2.0, Bonn: Impact GbR, 1998.

    Google Scholar 

  16. Macrae, F., Bruno, I.J., Chisholm, J.A., et al., J. Appl. Cryst., 2008, vol. 41, p. 466.

    Article  CAS  Google Scholar 

  17. SADABS, Version 2016/2, Madison: Bruker AXS Inc., 2016.

  18. Vynohradov, O.S., Pavlenko, V.A., Safyanova, I.S., et al., Acta Crystallogr., Sect. E: Crystallogr. Commun., 2020, vol. 76, p. 1507.

    Google Scholar 

  19. Molano, M.F., Velasquez, V.P.L., Erben, M.F., et al., Acta Crystallogr., Sect. E: Crystallogr. Commun., 2020, vol. 76, p. 148.

    Article  CAS  Google Scholar 

  20. Xia, W. and Jun, N., Acta Crystallogr., Sect. E: Struct. Rep. Online, 2011, vol. 67 p, p. 882.

  21. Jelsch, C., Ejsmont, C., and Huder, L., IUCrJ, 2014, vol. 1, p. 119.

    Article  CAS  Google Scholar 

  22. Guillot, B., Enrique, E., Huder, L., and Jelsch, C., Acta Crystallogr., Sect. A: Found. Adv., 2014, vol. 70, p. 279.

    Article  Google Scholar 

  23. Jelsch, C., Soudani, S., and Ben Nasr, C., IUCrJ, 2015, vol. 2, p. 327.

    Article  CAS  Google Scholar 

  24. Saikat, K.S., Seth, B., and Tanusree, K., J. Mol. Struct., 2010, vol. 965, p. 45.

    Article  Google Scholar 

  25. Saikat, K.S., Nitish, C.S., Soumen, G., and Tanusree, K., Chem. Phys. Lett., 2011, vol. 506, no. 4, p. 309.

    Article  Google Scholar 

Download references

Funding

The authors did not receive support from any organization for the submitted work.

Author information

Authors and Affiliations

  1. Laboratoire de Chimie des Matériaux, Université de Carthage, Faculté des Sciences de Bizerte, 7021, Zarzouna, Tunisia

    S. Sahli, C. Ben Nasr & K. Kaabi

  2. Laboratoire de Chimie Organométallique de Surface (LCOMS), Ecole Supérieure de Chimie Physique Electronique, 69626, Villeurbanne Cedex, France

    F. Lefebvre

  3. CRM2, CNRS, Institut Jean Barriol, Université de Lorraine, Vandoeuvre les Nancy Cedex, France

    C. Jelsch

Authors
  1. S. Sahli
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. F. Lefebvre
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. C. Jelsch
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. C. Ben Nasr
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. K. Kaabi
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to K. Kaabi.

Ethics declarations

The authors declare that they have no conflicts of interest.

Additional information

The issue is dedicated to the 70th birthday of Academician V.I. Ovcharenko

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Sahli, S., Lefebvre, F., Jelsch, C. et al. Synthesis, Crystal Structure, Hirshfeld Surface Analysis and DFT Calculations of Two New Cu(II) and Cd(II) Complexes with the 4-Amino-6-methoxypyrimidine Ligand. Russ J Coord Chem 48, 516–525 (2022). https://doi.org/10.1134/S1070328422080061

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S1070328422080061

Keywords:

Search

Navigation