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RAS Chemistry & Material ScienceКоординационная химия Russian Journal of Coordination Chemistry

  • ISSN (Print) 0132-344X
  • ISSN (Online) 3034-5499

Complexes of Hexacoordinated Ni(II) Based on Diacetyl bis-hetarylhydrazones: Structures and Magnetic Properties

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PII
10.31857/S0132344X24110014-1
DOI
10.31857/S0132344X24110014
Publication type
Article
Status
Published
Authors
D. V. Korchagin
  • Affiliation: Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
M. V. Melikhov
  • Affiliation: Federal Research Center of Problems of Chemical Physics and Medicinal Chemistry, Russian Academy of Sciences
Volume/ Edition
Volume 50 / Issue number 11
Pages
739-752
Abstract
Mononuclear nickel complexes [NiL1(NCS)2] ⋅ 2DMSO (I), [NiL1(NCS)2] ⋅ DMF (II), and [NiL2(NCS)2] ⋅ 0,5CH3OH ⋅ 1,5H2O (III) with the distorted octahedral coordination node, where L1 and L2 are the tetradentate ligand systems derived from the products of the condensation of diacetyl with 2-hydrazinoquinoline and 2-hydrazino-4,6-dimethylpyrimidine, respectively, are synthesized. The structures of the compounds are determined by IR pectroscopy and XRD (CIF files ССDС nos. 2219793 (I), 2142035 (II), and 2219794 (III)). The quantum chemical modeling of the axial parameter of magnetic anisotropy in the zero field (D) is performed for the synthesized compounds in the framework of the SA-CASSCF+NEVPT2 method. The complexes are shown to be characterized by three-axis magnetic anisotropy close to the light magnetization plane with positive D. The axial parameter of magnetic anisotropy (Dexp = 8.79 cm–1) determined by the approximation of the magnetometry data on complex [NiL2(NCS)2] ⋅ 0,5CH3OH ⋅ 1,5H2O is consistent with the calculated value (Dcalc = 11.5 cm–1).
Keywords
бис-гетарилгидразоны комплексы никеля(II) квантово-химическое моделирование аксиальный параметр магнитной анизотропии РСА
Date of publication
15.11.2024
Year of publication
2024
Number of purchasers
0
Views
12

References

  1. 1. Troiani F., Affronte M. // Chem. Soc. Rev. 2011. V. 40. № 6. P. 3119.
  2. 2. Stamp P.C., Gaita-Arino A. // J. Mater. Chem. 2009. V. 19. № 12. P. 1718.
  3. 3. Timco G.A., Faust T.B., Tuna F. et al. // Chem. Soc. Rev. 2011. V. 40. № 6. P. 3067.
  4. 4. Sanvito S. // Chem. Soc. Rev. 2011. V. 40. № 6. P. 3336.
  5. 5. Новиков В.В., Нелюбина Ю.В. // Успехи химии. 2021. Т. 90 № 10. С. 1330.
  6. 6. Neese F., Pantazisa D.A. // Faraday Discuss. 2011. V. 148. P. 229.
  7. 7. Boca R. // Coord. Chem. Rev. 2004. V. 248. № 9–10. P. 757.
  8. 8. Ganyushin D., Neese F. // J. Chem. Phys. 2006. V. 125. № 2. P. 024103.
  9. 9. Cirera J., Ruiz E., Alvarez S. et at. // Chem. Eur. J. 2009. V. 15. № 16. P. 4078.
  10. 10. Sarkar A., Dey S., Rajaraman G. // Chem. Eur. J. 2020. V. 26. № 62. P. 14036.
  11. 11. Craig G.A., Murrie M. // Chem. Soc. Rev. 2015. № 44. P. 2135.
  12. 12. Bar A.K., Pichon C., Sutter J.-P. // Coord. Chem. Rev. 2016. V. 308. P. 346.
  13. 13. Tupolova Y.P., Lebedev V.E., Shcherbakov I.N. // New J. Chem. 2023. V. 47. № 22. P. 10484
  14. 14. Tupolova Y.P., Korchagin D.V., Andreeva A.S. et al. // Magnetochemistry. 2022. V. 8. № 11. P. 153.
  15. 15. Попов Л.Д., Морозов А.Н., Щербаков И.Н. и др. // Успехи химии. 2009. Т. 78. № 7. С. 697.
  16. 16. Nikolaevskaya E.N., Druzhkov N.O., Syroeshkin M.A. et al. // Coord. Chem. Rev. 2020. V. 417. P. 213353.
  17. 17. Tupolova Yu.P., Shcherbakov I.N., Korchagin D.V et al. // J. Phys. Chem. C. 2020. V. 124. № 47. P. 25957.
  18. 18. Tupolova Y.P., Lebedev V.E., Korchagin D.V. et al. // New J. Chem. 2023. V. 47. № 22. P. 10884.
  19. 19. Tupolova Y.P., Shcherbakov I.N., Popov L.D. et al. // Dalton Trans. 2019. V. 48. 6960.
  20. 20. Дзиомко В.М., Красавин И.А., Мирошкина Н.И. // Методы получения химический реактивов и препаратов. 1965. № 12. С. 50.
  21. 21. Kosolapoff G.M., Roy C.H. // J. Org. Chem. 1961. V. 26. P. 1895.
  22. 22. Туполова Ю.П., Корчагин Д.В., Лебедев В.Е и др. // Коорд. химия. 2022. Т. 48 № 6. С. 362 (Tupolova Y.P., Korchagin D.V., Lebedev V.E. et al. // Russ. J. Coord. Chem. 2022. V. 48. Р. 362). https://doi.org/10.31857/S0132344X22060068
  23. 23. CrysAlisPro. Version 1.171.38.41. Rigaku Oxford Diffraction, 2015. https://www.rigaku.com/en/products/smc/crysalis
  24. 24. SHELXTL. Version 6.14. Madison (WI, USA): Bruker AXS, 2000.
  25. 25. Roos B.O., Taylor P.R., Sigbahn P. E.M. // Chem. Phys. 1980. V. 48. № 2. P. 157.
  26. 26. Per S., Anders H., Björn R., Bernard L. // Phys. Scripta. 1980. V. 21. № 3–4. P. 323.
  27. 27. Siegbahn P.E.M., Almlöf J., Heiberg A. et al. // J. Chem. Phys. 1981. V. 74. № 4. P. 2384–2396.
  28. 28. Angeli C., Cimiraglia R., Evangelisti S. et al. // J. Chem. Phys. 2001. V. 114. № 23. P. 10252.
  29. 29. Angeli C., Cimiraglia R., Malrieu J.-P. // Chem. Phys. Lett. 2001. V. 350. № 3. P. 297.
  30. 30. Angeli C., Cimiraglia R. // Theor. Chem. Acc. 2002. V. 107. № 5. P. 313.
  31. 31. Angeli C., Cimiraglia R., Malrieu J.-P. // J. Chem. Phys. 2002. V. 117. № 20. P. 9138.
  32. 32. Hess B.A. // Phys. Rev. A. 1986. № 33. № 6. P. 3742.
  33. 33. Pantazis D.A., Chen X.Y., Landis C.R. et al. // J. Chem. Theory Comput. 2008. V. 4. P. 908.
  34. 34. Schafer A., Huber C., Ahlrichs R. // J. Chem. Phys. 1994. V. 100. № 8. P. 5829.
  35. 35. Schafer A., Horn H., Ahlrichs R. // J. Chem. Phys. 1992. V. 97. № 4. P. 2571.
  36. 36. Weigend F., Ahlrichs R. // Phys. Chem. Chem. Phys. 2005. V. 7. № 18. P. 3297.
  37. 37. Neese F. // J. Comput. Chem. 2003. V. 24. № 14. P. 1740.
  38. 38. Neese F. // WIREs Comput. Mol. Sci. 2018. V. 8. № 1. Art. e1327.
  39. 39. Atanasov M., Ganyushin D., Sivalingam K. et al. // Molecular Electronic Structures of Transition Metal Complexes II / Eds. Mingos D. M.P., Day P., Dahl J. P. Berlin, Heidelberg: Springer, 2012. P. 149.
  40. 40. Singh S.K., Eng J., Atanasov M. et al. // Coord. Chem. Rev. 2017. V. 344. P. 2.
  41. 41. Alvarez S., Alemany P., Casanova D., J, et al. // Coord. Chem. Rev. 2005. V. 249. P. 1693.
  42. 42. Gomez-Coca S., Cremades E., Aliaga-Alcalde N. etal. // J. Am. Chem. Soc. 2013. V. 135. № 18. P. 7010.
  43. 43. Gómez-Coca S., Aravena D., Morales R. et al. // Coord. Chem. Rev. 2015. V. 289–290. P. 379.
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