Specific Features of Binding Bioactive Organic Molecules with the Metallic Matrix of Heteronuclear 3d-4f Structures Containing Soft and Hard Metallocenters Using the Nd(III)–Cu(II) Complex as an Example

Мұқаба

Дәйексөз келтіру

Толық мәтін

Аннотация

The polynuclear alanine hydroximate metallamacrocyclic complex Nd(C8H7NO4)(H2O)[15-
MCCu(II)Alaha-5](CH3COO) with the axial 3-hydroxy-4-pyridinone ligand is synthesized for the first time
from the (3-hydroxy-2-methyl-4-oxo-4H-pyridin-1-yl) acetate ligand. The X-ray diffraction (XRD) (CIF
file CCDC no. 2242224) and quantum chemical methods show that the interaction of ligand L with the Nd3+
ion retained due to ionic bonds with the oxygen atoms in the copper-containing metallamacrocyclic matrix
results in the formation of axial bonds (having a covalent contribution) between Nd3+ and the dioxolene fragment
of the pyridinone ligand. In topological and energy characteristics, these axial bond approach the bonds
of Cu2+ with the amine nitrogen atoms of the alanine hydroximate metallamacrocycle.

Авторлар туралы

M. Katkova

Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russia

Email: marina@iomc.ras.ru
Россия, Нижний Новгород

G. Zhigulin

Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russia

Email: marina@iomc.ras.ru
Россия, Нижний Новгород

E. Baranov

Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russia

Email: marina@iomc.ras.ru
Россия, Нижний Новгород

G. Zabrodina

Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russia

Email: marina@iomc.ras.ru
Россия, Нижний Новгород

M. Muravyeva

Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russia; Privolzhsky Research Medical University, Nizhny Novgorod, Russia

Email: marina@iomc.ras.ru
Россия, Нижний Новгород; Россия, Нижний Новгород

S. Ketkov

Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russia

Email: marina@iomc.ras.ru
Россия, Нижний Новгород

I. Fomina

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, Russia

Email: marina@iomc.ras.ru
Россия, Москва

I. Eremenko

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, Russia

Хат алмасуға жауапты Автор.
Email: marina@iomc.ras.ru
Россия, Москва

Әдебиет тізімі

  1. Advances in Metallacrown Chemistry / Ed. Za-leski C.M. Cham: Springer, 2022. 381 p.
  2. Каткова М.А. // Коорд. химия. 2018. Т. 44. С. 135 (Katkova M.A. // Russ. J. Coord. Chem. 2018. V. 44. P. 284). https://doi.org/10.1134/S107032841804005X
  3. Ostrowska M., Fritsky I.O., Gumienna-Kontecka E. et al. // Coord. Chem. Rev. 2016. V. 327–328. P. 304.
  4. Tegoni M., Remelli, M. // Coord. Chem. Rev. 2012. V. 256. P. 289.
  5. Mezei G., Zaleski C.M., Pecoraro V.L. // Chem. Rev. 2007. V. 107. P. 4933.
  6. Katkova M.A., Zabrodina G.S., Muravyeva M.S. et al. // Eur. J. Inorg. Chem. 2015. V. 2015. P. 5202.
  7. Katkova M.A., Zabrodina G.S., Baranov E.V. et al. // Appl. Organomet. Chem. 2018. V. 32. P. e4389.
  8. Muravyeva M.S., Zabrodina G.S., Samsonov M.A. et al. // Polyhedron. 2016. V. 114. P. 165.
  9. Katkova M.A., Zabrodina G.S., Rumyantcev R.V. et al. // Eur. J. Inorg. Chem. 2019. V. 2019. P. 4328.
  10. Kremlev K.V., Samsonov M.A., Zabrodina G.S. et al. // Polyhedron. 2016. V. 114. P. 96.
  11. Cutland A.D., Halfen J.A., Kampf J.W. et al. // J. Am. Chem. Soc. 2001. V. 123. P. 6211.
  12. Lim C.S., Kampf J.W., Pecoraro V.L. // Inorg. Chem. 2009. V. 48. P. 5224.
  13. Tegoni M., Tropiano M., Marchio L. et al. // Dalton Trans. 2009. P. 6705.
  14. Jankolovits J., Lim C.S., Mezei G. et al. // Inorg. Chem. 2012. V. 51. P. 4527.
  15. Jankolovits J., Van-Noord A.D.C., Kampf J.W. et al. // Dalton Trans. 2013. V. 42. P. 9803.
  16. Pavlishchuk A.V., Kolotilov S.V., Zeller M. et al. // Inorg. Chem. 2014. V. 53. P. 1320.
  17. Katkova M.A., Zabrodina G.S., Muravyeva M.S. et al. // Inorg. Chem. Commun. 2015. V. 52. P. 31.
  18. Pavlishchuk A.V., Kolotilov S.V., Zeller M. et al. // Eur. J. Inorg. Chem. 2018. V. 2018. P. 3504.
  19. Lim C.S., Jankolovits J., Zhao P. et al. // Inorg. Chem. 2011. V. 50. P. 4832.
  20. Katkova M.A., Baranov E.V., Zabrodina G.S. et al. // Macroheterocycles. 2021. V. 14. P. 101.
  21. Rangel M., Moniz T., Silva A. et al. // Pharmaceuticals. 2018. V. 11. P. 110.
  22. Santos M.A., Marques S.M., Chaves S. // Coord. Chem. Rev. 2012. V. 256. P. 240.
  23. Mawani Y., Cawthray J.F., Chang S. // Dalton Trans. 2013. V. 42. P. 5999.
  24. Lin S., Liu C., Zhao X. et al. // Front. Chem. 2022. V. 10. P. 869860.
  25. Zhang Z., Rettig S.J., Orvig C. // Can. J. Chem. 1992. V. 70. P. 763.
  26. Data Collection, Reduction and Correction Program. CrysAlisPro 1.171.41.93a – Software Package. Rigaku OD, 2020.
  27. SCALE3 ABSPACK: Empirical Absorption Correction. CrysAlisPro 1.171. 41.93a – Software Package, Rigaku OD, 2020.
  28. Sheldrick G.M. // Acta Crystallogr. A. 2015. V. 71. P. 3.
  29. Sheldrick G.M. SHELXTL. Version 6.14. Structure Determination Software Suite. Madison (WI, USA): Bruker AXS, 2003.
  30. Sheldrick G.M. // Acta Crystallogr. C. 2015. V. 71. P. 3.
  31. Dolomanov O.V., Bourhis L.J., Gildea R.J. et al. // J. Ap-pl. Cryst. 2009. V. 42. P. 339.
  32. Laikov D.N. // Chem. Phys. Lett. 1997. V. 281. P. 151.
  33. Laikov D.N., Ustynyuk Y.A. // Russ. Chem. Bull. 2005. V. 54. P. 820.
  34. Zabrodina G.S., Katkova M.A., Rumyantcev R.V. et al. // Macroheterocycles. 2022. V. 15. P. 109.
  35. Svitova A.L., Popov A.A., Dunsch. L. // Inorg. Chem. 2013. V. 52. P. 3368.
  36. Katkova M.A., Zhigulin G.Y., Rumyantcev R.V. et al. // Molecules. 2020. V. 25. P. 4379.
  37. Perdew J.P., Burke K., Ernzerhof M. // Phys. Rev. Lett. 1996. V. 77. P. 3865.
  38. Laikov D.N. // Theor. Chem. Acc. 2019. V. 138. P. 40.
  39. Zhigulin G.Yu., Zabrodina G.S., Katkova M.A. et al. // Russ. Chem. Bull. 2018. V. 67. P. 1173.
  40. Katkova M.A., Zabrodina G.S., Zhigulin G.Yu. et al. // Russ. J. Coord. Chem. 2019. V. 45. P. 721.
  41. Bader R.F.W. Atoms in Molecules: A Quantum Theory. Oxford: Oxford Univ. Press, 1990. 456 p.
  42. Abramov Y.A. // Acta Crystallogr. A. 1997. V. 53. P. 264.
  43. Espinosa E., Molins E., Lecomte C. // Chem. Phys. Lett. 1998. V. 285. P. 170.
  44. Becke A.D., Edgecombe K.E. // J. Chem. Phys. 1990. V. 92. P. 5397.
  45. Savin A., Silvi B., Colonna F. // Can. J. Chem. 1996. V. 74. P. 1088.
  46. Johnson E.R., Keinan S., Mori-Sánchez P. et al. // J. Am. Chem. Soc. 2010. V. 132. P. 6498.
  47. Allouche A.R. // J. Comput. Chem. 2011. V. 32. P. 174.
  48. Weekes D.M., Cawthray J.F., Rieder M. et al. // Metallomics. 2017. V. 9. P. 902.
  49. Orvig C., Rettig S.J., Zhang Z. // Acta Crystallogr. C. 1994. V. 50. P. 1514.
  50. Molenda J.J., Jones M.M., Johnston D.S. et al. // J. Med. Chem. 1994. V. 37. P. 4363.
  51. Espinosa E., Alkorta I., Elguero J. et al. // J. Chem. Phys. 2002. V. 117. P. 5529.
  52. Gibbs G.V, Cox D.F., Crawford T.D. et al. // J. Chem. Phys. 2006. V. 124. P. 084704.
  53. Zhigulin G.Yu., Zabrodina G.S., Katkova M.A. et al. // Russ. Chem. Bull. 2019. V. 68. P. 743.
  54. Zhigulin G.Yu., Zabrodina G.S., Katkova M.A. et al. // Russ. J. Coord. Chem. 2019. V. 45. P. 356. https://doi.org/10.1134/S107032841905004X
  55. Greenwood N.N., Earnshaw A., Chemistry of the Elements, Oxford: Butterworth–Heinemann, 1997. 1364 p.

© М.А. Каткова, Г.Ю. Жигулин, Е.В. Баранов, Г.С. Забродина, М.С. Муравьева, С.Ю. Кетков, И.Г. Фомина, И.Л. Еременко, 2023

Согласие на обработку персональных данных

 

Используя сайт https://journals.rcsi.science, я (далее – «Пользователь» или «Субъект персональных данных») даю согласие на обработку персональных данных на этом сайте (текст Согласия) и на обработку персональных данных с помощью сервиса «Яндекс.Метрика» (текст Согласия).