RAS PresidiumДоклады Российской академии наук. Химия, науки о материалах Doklady Chemistry

  • ISSN (Print) 2686-9535
  • ISSN (Online) 3034-5111

Features of electronic structure of (η⁵-C₅H₅)LuCl₂(THF)₃

PII
10.31857/S2686953524030079-1
DOI
10.31857/S2686953524030079
Publication type
Article
Status
Published
Authors
Volume/ Edition
Volume 516 / Issue number 1
Pages
52-58
Abstract
For the first time, a topological analysis of the electron density distribution function in a crystal for an organolanthanide compound was carried out using the CpLuCl₂(THF)₃ complex as an example. The charges on atoms were determined. A predominantly ionic nature of the Lu–ligand bond was confirmed, but the essentially covalent nature of the Lu–Cp bond was discovered. The energies of the Lu–ligand bonds were determined.
Keywords
редкоземельные элементы лютеций, циклопентадиен рентгеноструктурный анализ
Date of publication
18.09.2025
Year of publication
2025
Number of purchasers
0
Views
6

References

  1. 1. Raymond K.N., Eigenbrot C.W. // Acс. Chem. Res. 1980. V. 13. № 8. P. 276–283. https://doi.org/10.1021/ar50152a005
  2. 2. Evans W.J. // Polyhedron 1987. V. 6. № 5. P. 803–835. https://doi.org/10.1016/S0277-5387 (00)80921-3
  3. 3. Choppin G.R. // J. Alloys Compd. 2002. V. 344. № 1–2. P. 55–59. https://doi.org/10.1016/s0925-8388 (02)00305-5
  4. 4. Roitershtein D.M., Rybakova L.F., Petrov E.S., Ellern A.M., Anipin M.Yu., Sruchkov Yu.T. // J. Organomet. Chem. 1993. V. 460. № 1. P. 39–45. https://doi.org/10.1016/0022-328X (93)80356-G
  5. 5. Roitershtein D.M., Minyaev M.E., Lyssenko K.A., Belyakov P.A., Antipin M.Yu. // Russ. Chem. Bull., Int. Ed. 2004. V. 53. № 10. P. 2152–2161. https://doi.org/10.1007/s11172-005-0089-7
  6. 6. Ellis J.E., Minyaev M.E., Nifant’ev I.E., Churakov A.V. // Acta Cryst., Sect. C. 2018. V. C74. № 6. P. 769–781. http://dx.doi.org/10.1107/S2053229618007295
  7. 7. Roitershtein D.M., Vinogradov A.A., Vinogradov A.A., Lyssenko K.A., Nelyubina Yu.V., Anan’ev I.V., Nifant’ev I.E., Yakovlev V.A., Kostitsyna N.N. // Organometallics. 2013. V. 32. № 5. P. 1272–1286. https://doi.org/10.1021/om301020r
  8. 8. Puntus L.N., Lyssenko K.A., Antipin M.Yu., Bünzli J.-C.G. // Inorg. Chem. 2008. V. 47. № 23. P. 11095–11107. https://doi.org/10.1021/ic801402u
  9. 9. Roitershtein D.M., Puntus L.N., Vinogradov A.A., Lyssenko K.A., Minyaev M.E., Dobrokhodov M.D., Taidakov I.V., Varaksina E.A., Churakov A.V., Nifant’ev I.E. // Inorg. Chem. 2018. V. 57. № 16. P. 10199–10213. http://dx.doi.org/10.1021/acs.inorgchem.8b01405
  10. 10. Zhurov V.V., Zhurova E.A., Stash A.I., Pinkerton A.A. // J. Phys. Chem. A. 2011. V. 115. № 45. P. 13016–13023. https://doi.org/10.1021/jp204965b
  11. 11. Koritsanszky T.S., Coppens P. // Chem. Rev. 2001. V. 101. № 6. P. 1583–1628. https://doi.org/10.1021/cr990112c
  12. 12. Blatov V.A. // Crystallogr. Rev. 2004. V. 10. № 4. P. 249–318. https://doi.org/10.1080/08893110412331323170
  13. 13. Bader R.F.W. Atoms in Molecules: A Quantum Theory. Oxford University Press, USA, 1994. p. 456.
  14. 14. ToposPro ver. 5.4.1.0 practical manual: https://topospro.com/download/manuals/topos_practical_manual_rus_5.4.1.0_1.1.0.pdf (ссылка активна на 04.07.2024).
  15. 15. Lyssenko K.A., Vologzhanina A.V., Torubaev Yu.V., Nelyubina Yu.V. // Mendeleev Commun. 2014. V. 24. № 4. P. 216–218. https://doi.org/10.1016/j.mencom.2014.06.009
  16. 16. Roitershtein D.M., Minyaev M.E., Mikhailyuk A.A., Lyssenko K.A., Belyakov P.A., Antipin M.Yu. // Russ. Chem. Bull. 2007. V. 56. № 10. P. 1978–1985. http://dx.doi.org/10.1007/s11172-007-0308-5
  17. 17. Elschenbroich C. Organometallics, 3rd, Completely Revised and Extended Edition. Wiley-VCH, 2016. 817 p.
  18. 18. Lyssenko K.A. // Mendeleev Commun. 2012. V. 22. № 1. P. 1–7. https://doi.org/10.1016/j.mencom.2012.01.001
  19. 19. Espinosa E., Molins E., Lecomte C. // Chem. Phys. Lett. 1998. V. 285. № 3–4. P. 170–173. https://doi.org/10.1016/S0009-2614 (98)00036-0
  20. 20. Espinosa E., Alkorta I., Rozas I., Elguero J., Molins E. // Chem. Phys. Lett. 2001. V. 336. № 5–6. P. 457–461. https://doi.org/10.1016/s0009-2614 (01)00178-6
  21. 21. Borissova A.O., Antipin M.Yu., Lyssenko K.A. // Phys. Chem. A. 2009. V. 113. № 40. P. 10845–10851. https://doi.org/10.1021/jp905841r
  22. 22. Schumann H., Herrmann K., Mühle S.H., Dechert S. // Z. Anorg. Allg. Chem. 2003. V. 629. № 7–8. P. 1184–1194. https://doi.org/10.1002/zaac.200300041
  23. 23. Edelmann F.T., Poremba P. Inorganic compounds and important starting materials of the lanthanide elements. In: Synthetic methods of organometallic and inorganic chemistry (Herman/Brauer). Lanthanides and actinides. Edelmann F.T., Herrmann W.A. (eds.). Verlag: Stuttgart, Germany, 1997. P. 34–35.
  24. 24. Bruker. APEX-III. Bruker AXS Inc., Madison, Wisconsin, USA, 2019.
  25. 25. Krause L., Herbst-Irmer R., Sheldrick G.M., Stalke D. // J. Appl. Cryst. 2015. V. 48. № 1. P. 3–10. https:// doi.org/10.1107/S1600576714022985
  26. 26. Sheldrick G.M. // Acta Cryst., Sect. A. 2015. V. A71. № 1. P. 3–8. https://doi.org/10.1107/S2053273314026370
  27. 27. Sheldrick G.M. // Acta Cryst., Sect. C. 2015. V. C71. № 1. P. 3–8. https://doi.org/10.1107/S2053229614024218
  28. 28. Volkov A., Macchi P., Farrugia L.J., Gatti C., Mallinson P., Richter T., Koritsanszky T. // XD2006 – a computer program for multipole refinement, topological analysis of charge densities and evaluation of intermolecular energies from experimental or theoretical structure factors. 2006. https://www.chem.gla.ac.uk/~louis/xd-home/ (ссылка активна на 31.05.2024)
  29. 29. Stash A., Tsirelson V. // J. Appl. Cryst. 2002. V. 35. № 3. P. 371–373. https://doi.org/10.1107/s0021889802003230
QR
Translate

Индексирование

Scopus

Scopus

Scopus

Crossref

Scopus

Higher Attestation Commission

At the Ministry of Education and Science of the Russian Federation

Scopus

Scientific Electronic Library