Skip to main content
SpringerLink
Log in

Crystal structure and EPR spectrum of dimeric di-μ-azide-bis[cyanide(N,N-diethylethylenediamine)]-copper(II), [Cu(N3)(NCO)(diEten)]2

  • Published:
Journal of Chemical Crystallography Aims and scope Submit manuscript

Abstract

The title compound, [Cu(N3)(NCO)(C6H16N2)]2, crystallizes in the space groupP21/n, witha=8.336(1),b=17.405(3),c=8.376(1) Å, β=109.73(2)o andZ=4. The molecules are arranged as centrosymmetric dimers in which two azide ligands bridge neighboring copper ions in an asymmetric head-on fashion. The Cu(II) ion is coordinated to five nitrogen atoms which form a distorted tetragonal pyramid. At the pyramid base are the two N atoms of a diEten molecule [Cu−N=2.00(1), 2.130(9) Å], an azide end atom [Cu−N=1.99(1) Å] and a NCO group [Cu−N=1.93(1) Å]. At the pyramid apex is the other, inversion related, azide N atom in the dimer [Cu−N=2.38(1) Å]. This Cu−N contact links the monomers within a dimer. Neighboring dimers are coupled by weak N−H…O contacts. Single crystal EPR data at X-band show that the pair of resonances expected for neighboring, magnetically nonequivalents dimers, collapse into a single line, a signature of inter-dimers superexchange coupling. The observed crystal gyromagnetic tensor is used to disclose the electronic and magnetic structure around Cu(II) ions.

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. Chaudhuri, P.; Oder, K.; Wieghardt, K.; Nuber, B.; Weiss, R.J. Inorg. Chem. 1986,25, 2818.

    Article  CAS  Google Scholar 

  2. Bencini, A.; Gatteschi, D.,EPR of Exchange Coupled Systems; Springer-Verlag: Berlin, 1990, pp 210–214 and references therein.

    Google Scholar 

  3. Comarmond, J.; Plumeré, P.; Lehn, J. M.; Agnus, Y.; Louis, R.; Weiss, R.; Kahn, O.; Morgenstern-Baradau, I.J. Am. Chem. Soc. 1982,104, 6330.

    Article  CAS  Google Scholar 

  4. Bkouche-Waksman, I.; Boillot, M. L.; Kahn, O.; Sikorav, S.Inorg. Chem. 1984,23, 4454.

    Article  CAS  Google Scholar 

  5. Drew, M. G. B.; McCann, M.; Nelson, S. M.J. Chem. Soc. Chem. Commun. 1979, 481.

  6. Matsumoto, K.; Shunichiro, O.; Nakatsuka, K.J. Chem. Soc. Dalton Trans. 1985, 2095.

  7. Kahn, O.; Sikorav, S.; Gouteron, J.; Jeannin, S.; Jeannin, Y.Inorg. Chem. 1983,22, 2877.

    Article  CAS  Google Scholar 

  8. Sikorav, S.; Bkouche-Waksman, I.; Kahn, O.Inorg. Chem. 1984,23, 490.

    Article  CAS  Google Scholar 

  9. Mauro, A. E.; Klein, S. I.; Saldaña, J. S.; DeSimone, C. A.; Zukerman-Schpector, J.; Castellano, E. E.Polyhedron 1990,9, 2937.

    Article  CAS  Google Scholar 

  10. Zukerman-Schpector, J.; Castellano, E. E.; Oliva, G.; Mauro, A. E.,Acta Crystallogr. 1991,C47, 957.

    CAS  Google Scholar 

  11. Sheldrick, G. M.SHELX, a Program for Crystal Structure Determination; University of Cambridge: Cambridge, England,1976.

    Google Scholar 

  12. Frenz, B. A.,Enraf-Nonius Structure Determination Package; Enraf-Nonius: Delft, The Netherlands,1983.

    Google Scholar 

  13. Hamilton, W. C.Acta Crystallogr. 1959,12, 609.

    Article  CAS  Google Scholar 

  14. Johnson, C. K. ORTEP. Report ORNL-3794, Oak Ridge, TN,1965.

  15. Ballhausen, C. J.; Gray, H. B.,Molecular Orbital Theory: An Introductory Lecture Note and Reprinted Volume; Benjamin: New York,1965; p 64.

    Google Scholar 

  16. Gutterman, D. F.; Gray, H. B.J. Am. Chem. Soc. 1971,93, 3364.

    Article  Google Scholar 

  17. Soderquist, R.Acta Crystallogr. 1968,B24, 450.

    Google Scholar 

  18. Agrell, I.Acta Chem. Scand. 1966,20, 1281.

    Article  CAS  Google Scholar 

  19. Palenik, G. J.Acta Crystallogr. 1964,17, 360.

    Article  CAS  Google Scholar 

  20. Castellano, E. E.; Piro, O. E.; Punte, G.; Amalvy, J. I.; Varetti, E. L.; Aymonino, P. J.Acta Crystallogr. 1982,B38, 2239.

    CAS  Google Scholar 

  21. Balagopalakrishna, C.; Rajasekharan, M. V.Phys. Rev. 1990,B42, 7794.

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Departamento de Fisica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata and Programa PROFIMO (CONICET), Casilla de Correo 67, 1900, La Plata, Argentina

    O. E. Piro

  2. Instituto de Física de São Carlos, Universidade de São Paulo, C.P. 369, 13560, São Carlos, SP, Brazil

    E. E. Castellano

  3. Departmento de Química, Universidade Federal de São Carlos, C.P. 676, 13565-905, São Carlos, SP, Brazil

    J. Zukerman-Schpector

  4. Departamento de Química, Universidad Federal de Alagoas, 57000, Maceió, AL, Brazil

    C. A. De Simone

  5. INTEC (CONICET-UNL), Gũemes 3450, 3000, Santa Fe, Argentina

    D. M. Martino & C. A. Steren

Authors
  1. O. E. Piro
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. E. E. Castellano
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. J. Zukerman-Schpector
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. C. A. De Simone
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. D. M. Martino
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. C. A. Steren
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Piro, O.E., Castellano, E.E., Zukerman-Schpector, J. et al. Crystal structure and EPR spectrum of dimeric di-μ-azide-bis[cyanide(N,N-diethylethylenediamine)]-copper(II), [Cu(N3)(NCO)(diEten)]2 . J Chem Crystallogr 27, 129–135 (1997). https://doi.org/10.1007/BF02575906

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF02575906

Key Words

Search

Navigation