Features of Cl K-edge XANES spectra of metal transition complexes {MCl6}n (M = Rh, Pd, Re, Os, Ir, Pt)

Cover Page

Cite item

Full Text

Open Access Open Access
Restricted Access Access granted
Restricted Access Subscription Access

Abstract

Cl K-edges of a set of chlorides of 4d- and 5d-transition metals {MCl6}n (M = Rh, Pd, Re, Os, Ir, Pt) were obtained using the “Cosmos” station of the VEPP-4 synchrotron. The combined use of experimental X-ray and theoretical methods made it possible to determine the magnitude of the spin-orbit interaction (SOC) depending on the transition metal. The features of the Cl K-edge are analyzed with and without SOC, as well as stretched and compressed complexes.

About the authors

A. D. Fedorenko

Nikolaev Institute of Inorganic Chemistry of the Siberian Branch of the Russian Academy of Sciences

Author for correspondence.
Email: fedorenko@niic.nsc.ru
Russia, 630090, Novosibirsk

I. P. Asanov

Nikolaev Institute of Inorganic Chemistry of the Siberian Branch of the Russian Academy of Sciences

Email: fedorenko@niic.nsc.ru
Russia, 630090, Novosibirsk

T. I. Asanova

Nikolaev Institute of Inorganic Chemistry of the Siberian Branch of the Russian Academy of Sciences

Email: fedorenko@niic.nsc.ru
Russia, 630090, Novosibirsk

D. B. Vasilchenko

Nikolaev Institute of Inorganic Chemistry of the Siberian Branch of the Russian Academy of Sciences

Email: fedorenko@niic.nsc.ru
Russia, 630090, Novosibirsk

A. D. Nikolenko

Federal Research Center Boreskov Institute of Catalysis of the Siberian Branch of the Russian Academy of Sciences”; Budker Institute of Nuclear Physics of the Siberian Branch of the Russian Academy of Sciences; Synchrotron Radiation Facility – Siberian Circular Photon Source “SKIF”, Boreskov Institute of Catalysis
of Siberian Branch of the Russian Academy of Sciences

Email: fedorenko@niic.nsc.ru
Russia, 630090, Novosibirsk; Russia, 630090, Novosibirsk; Russian, 630559, Koltsovo

P. A. Piminov

Budker Institute of Nuclear Physics of the Siberian Branch of the Russian Academy of Sciences; Synchrotron Radiation Facility – Siberian Circular Photon Source “SKIF”, Boreskov Institute of Catalysis
of Siberian Branch of the Russian Academy of Sciences

Email: fedorenko@niic.nsc.ru
Russia, 630090, Novosibirsk; Russian, 630559, Koltsovo

K. Yu. Karyukina

Budker Institute of Nuclear Physics of the Siberian Branch of the Russian Academy of Sciences; Synchrotron Radiation Facility – Siberian Circular Photon Source “SKIF”, Boreskov Institute of Catalysis
of Siberian Branch of the Russian Academy of Sciences

Email: fedorenko@niic.nsc.ru
Russia, 630090, Novosibirsk; Russian, 630559, Koltsovo

References

  1. Стрельцов С.В., Хомский Д.И. // УФН. 2017. Т. 187. № 11. С. 1205; Streltsov S.V., Khomskii D.I. // Phys. Usp. 2017. V. 60. No. 11. P. 1121.
  2. Streltsov S.V., Khomskii D.I. // Phys. Rev. X. 2020. V. 10. No. 3. Art. No. 031043.
  3. Takayama T., Chaloupka J., Smerald A. et al. // J. Phys. Soc. Japan. 2021. V. 90. No. 6. Art. No. 062001.
  4. Kim B.J., Ohsumi H., Komesu T. et al. // Science. 2009. V. 323. No. 5919. P. 1329.
  5. Chen G., Pereira R., Balents L. // Phys. Rev. B. 2010. V. 82. No. 17. Art. No. 174440.
  6. Sinova J., Valenzuela S.O., Wunderlich J. et al. // Rev. Mod. Phys. 2015. V. 87. No. 4. P. 1213.
  7. Hirsch J.E. // Phys. Rev. Lett. 1999. V. 83. No. 9. P. 1834.
  8. Manchon A., Koo H.C., Nitta J. et al. // Nature Mater. 2015. V. 14. No. 9. P. 871.
  9. Fert A., Reyren N., Cros V. // Nature. Rev. Mater. 2017. V. 2. No. 7. Art. No. 17031.
  10. Chaloupka J., Jackeli G., Khaliullin G. // Phys. Rev. Lett. 2010. V. 105. No. 2. Art. No. 027204.
  11. Kim Y.K., Krupin O., Denlinger J.D. et al. // Science. 2014. V. 345. No. 6193. P. 187.
  12. Hao L., Meyers D., Dean M.P.M. et al. // J. Phys. Chem. Solids. 2019. V. 128. P. 39.
  13. Khan N., Prishchenko D., Skourski Y. et al. // Phys. Rev. B. 2019. V. 99. No. 14. Art. No. 144425.
  14. Sheng X.-L., Nikolić B.K. // Phys. Rev. B. 2017. V. 95. № 20. Art. No. 201402.
  15. Yamada M.G., Oshikawa M., Jackeli G. // Phys. Rev. Lett. 2018. V. 121. No. 9. Art. No. 097201.
  16. Plumb K.W., Clancy J.P., Sandilands L.J. et al. // Phys. Rev. B. 2014. V. 90. No. 4. Art. No. 041112.
  17. Ishikawa H., Takayama T., Kremer R.K. et al. // Phys. Rev. B. 2019. V. 100. No. 4. Art. No. 045142.
  18. Pedersen K.S., Woodruff D.N., Singh S.K. et al. // Chem. A. Eur. J. 2017. V. 23. No. 47. Art. No. 11244.
  19. Stamokostas G.L., Fiete G.A. // Phys. Rev. B. 2018. V. 97. No. 8. Art. No. 085150.
  20. Liu X., Katukuri V.M., Hozoi L. et al. // Phys. Rev. Lett. 2012. V. 109. No. 15. Art. No. 157401.
  21. de Groot F.M.F., Grioni M., Fuggle J.C. et al. // Phys. Rev. B. 1989. V. 40. No. 8. P. 5715.
  22. Lafuerza S., Subias G., Garcia J. et al. // J. Phys. Cond. Matter. 2011. V. 23. No. 32. Art. No. 325601.
  23. Черняев И.И. Синтез комплексных соединений металлов платиновой группы. Справочник. М.: Наука. 1964. 340 с.
  24. Губанов А.И., Коренев С.В., Громилов С.А. и др. // ЖСХ. 2000. Т. 41. № 2. С. 417; Gubanov A.I., Korenev S.V., Gromilov S.A. et al. // J. Struct. Chem. 2000. V. 41. No. 2. P. 340.
  25. Корольков И.В., Губанов А.И., Юсенко К.В. и др. // ЖСХ. 2007. Т. 48. № 3. С. 530; Korol’kov I.V., Gubanov A.I., Yusenko K.V. et al. // J. Struct. Chem. 2007. V. 48. No. 3. P. 486.
  26. Громилов С.А., Коренев С.В., Храненко С.П. и др. // ЖСХ. 1997. Т. 38. № 1. С. 120; Gromilov S.A., Korenev S.V., Khranenko S.P. et al. // J. Struct. Chem. 1997. V. 38. No. 1. P. 96.
  27. Zabrodsky V.V., Aruev P.N., Sukhanov V.L. et al. // Proc. ISMTII-2009. V. 3. (Saint-Petersburg, 2009). P. 243.
  28. Piminov P.A., Baranov G.N., Bogomyagkov A.V. et al. // Phys. Procedia. 2016. V. 84. P. 19.
  29. Николенко А.Д., Авакян С.В., Афанасьев И.М. и др. // Поверхность. Рентген. синхротр. нейтрон. иссл. 2012. № 5. С. 13.
  30. Asanova T.I., Asanov I.P., Kim M.-G. et al. // New J. Chem. 2018. V. 42. No. 7. P. 5071.
  31. Schaefers F., Mertin M., Gorgoi M. // Rev. Sci. Instrum. 2007. V. 78. No. 12. Art. No. 123102.
  32. te Velde G., Bickelhaupt F.M., Baerends E.J. et al. // J. Comput. Chem. 2001. V. 22. No. 9. P. 931.
  33. Becke A.D. // J. Chem. Phys. 1993 V. 98. No. 7. P. 5648.
  34. Becke A.D. // Phys. Rev. A. 1988. V. 38. No. 6. P. 3098.
  35. Lee C., Yang W., Parr R.G. // Phys. Rev. B. 1988. V. 37. No. 2. P. 785.
  36. Van Lenthe E., Baerends E.J. // J. Comput. Chem. 2003. V. 24. No. 9. P. 1142.
  37. Visscher L., van Lenthe E. // Chem. Phys. Lett. 1999. V. 306. No. 5–6. P. 357.
  38. van Lenthe E., Ehlers A., Baerends E.-J. // J. Chem. Phys. 1999. V. 110. No. 18. P. 8943.
  39. Van den Hoek P.J., Baerends E.J., Van Santen R.A. // J. Phys. Chem. 1989. V. 93. No. 17. P. 6469.
  40. Neese F. // WIREs Comput. Mol. Sci. 2022. Art. No. e1606.
  41. Weigend F., Ahlrichs R. // Phys. Chem. Chem. Phys. 2005. V. 7. No. 18. P. 3297.
  42. Stoychev G.L., Auer A.A., Neese F. // J. Chem. Theory Comput. 2017. V. 13. No. 2. P. 554.
  43. Noro T., Sekiya M., Koga T. // Theor. Chem. Acc. 2013. V. 132. No. 5. P. 1363.
  44. Hess B.A. // Phys. Rev. A. 1986. V. 33. No. 6. P. 3742.
  45. Ganyushin D., Neese F. // J. Chem. Phys. 2013. V. 138. No. 10. Art. No. 104113.
  46. Angeli C., Cimiraglia R., Malrieu J.-P. // J. Chem. Phys. 2002. V. 117. No. 20. P. 9138.
  47. Lang L., Atanasov M., Neese F. // J. Phys. Chem. A. 2020. V. 124. No. 5. P. 1025.
  48. Neese F. // J. Comput. Chem. 2003. V. 24. No. 14. P. 1740.
  49. Neese F., Solomon E.I. // Inorg. Chem. 1998. V. 37. No. 26. P. 6568.
  50. Roemelt M., Neese F. // J. Phys. Chem. A. 2013. V. 117. No. 14. P. 3069.
  51. Khomskii D.I., Streltsov S.V. // Chem. Rev. 2021. V. 121. No. 5. P. 2992.
  52. Першина В. // Усп. химии. 2009. Т. 78. № 12. С. 1243; Pershina V. // Russ. Chem. Rev. 2009. V. 78. No. 12. P. 1153.
  53. Georges A., de’ Medici L., Mravlje J. // Annu. Rev. Cond. Matter Phys. 2013. V. 4. No. 1. P. 137.
  54. Yuan B., Clancy J.P., Cook A.M. et al. // Phys. Rev. B. 2017. V. 95. No. 23. Art. No. 235114.
  55. Shadle S.E., Hedman B., Hodgson K.O. et al. // J. Amer. Chem. Soc. 1995. V. 117. No. 8. P. 2259.
  56. Sergentu D.-C., Autschbach J. // Chem. Sci. 2022. V. 13. No. 11. P. 3194.

Supplementary files

Supplementary Files
Action
1. JATS XML
2.

Download (360KB)
3.

Download (51KB)
4.

Download (112KB)
5.

Download (506KB)

Copyright (c) 2023 А.Д. Федоренко, И.П. Асанов, Т.И. Асанова, Д.Б. Васильченко, А.Д. Николенко, П.А. Пиминов, К.Ю. Карюкина