Везде

RAS Chemistry & Material ScienceКоординационная химия Russian Journal of Coordination Chemistry

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

SYNTHESIS AND FEATURES OF THE MOLECULAR AND CRYSTAL STRUCTURE OF THE Cp4Ru4(µ3-CO)4 CLUSTER

You can
PII
10.31857/S0132344X23600145-1
DOI
10.31857/S0132344X23600145
Publication type
Status
Published
Authors
S. V. Osintseva
  • Affiliation:
    Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, Russia
    National Research University, Higher School of Economics, Moscow, Russia
Volume/ Edition
Volume 49 / Issue number 12
Pages
790-800
Abstract
When preparing the ruthenium dimer [Ru(CO)2Cp]2 in the thermal reaction of cyclopentadiene with Ru3(CO)12, the tetranuclear cluster [Ru(μ3-CO)Cp]4 (I) was obtained as a minor product. Spectral (13C and 1H NMR, IR) and structural studies were carried out for cluster I. By crystallization under different conditions, two types of dark cherry crystals were obtained, cluster I itself (crystal 1) and its tetrahydrate (crystal 2), the structure of which was determined by X-ray diffraction. Structural data for 1 and 2 have been deposited in the Cambridge Structural Data Center (CCDC nos. 2241197 and 2241199, respectively; deposit@ccdc.cam.ac.uk; http://www.ccdc.cam.ac.uk). Based on a comparative analysis of cluster geometry, it is shown that the distortion of the Ru4(CO)4 framework in I from ideal Td symmetry in the structure of a pure compound is determined by the anisotropy of intermolecular contacts in the crystal. Features of chemical bonding in the [Ru(μ3-CO)Cp]4 cluster and its iron-containing analogue were studied using DFT calculations using topological analysis of electron density to compare energy characteristics and effective force constant bonding interactions. The necessity of using criteria for elastic deformations of interatomic interactions (force constants) for the correct description of structural and chemical phenomena, for example, such as the structural non-rigidity of the framework of transition metal clusters, has been demonstrated.
Keywords
циклопентадиенильные комплексы рутения карбонильные комплексы рутения кластеры металлов РСА кристаллическая структура DFT расчеты электронная плотность связь металл–металл
Date of publication
01.12.2023
Year of publication
2023
Number of purchasers
0
Views
9

References

  1. 1. Jaworska M., Macyk W., Stasicka Z. // Struct. Bond. 2004. V. 106. P. 153.
  2. 2. Anna J.M., King J.T., Kubarych K.J. // Inorg. Chem. 2011. V. 50. P. 9273.
  3. 3. Bitterwolf T.E. // Coord. Chem. Rev. 2000. V. 206–207. P. 419.
  4. 4. Bennett M.A., Bruce M.I., Matheson T.W. // Comprehensive Organometallic Chemistry. V. 4 / Eds. Wilkinson G., Stone F.G.A. and Abel E.W. Oxford: Pergamon Press, 1982. P. 821.
  5. 5. Haines R.J. // Comprehensive Organometallic Chemistry II. V. 7 / Eds. Abel E.W., Stone F.G.A. and Wilkinson G. Oxford: Pergamon Press, 1995. P. 625.
  6. 6. Osintseva S.V., Dolgushin F.M., Shtel’tser N.A. et al. // Organometallics. 2010. V. 29. P. 1012.
  7. 7. Osintseva S.V., Shtel’tser N.A., Peregudov A.S. et al. // Polyhedron. 2018. V. 148. P. 147.
  8. 8. Humphries A.P., Knox S.A.R. // Chem. Commun. 1973. P. 326.
  9. 9. Humphries A.P., Knox S.A.R. // Dalton Trans. 1975. P. 1710.
  10. 10. Doherty N.M., Knox S.A.R., Morris M.J. et al. // Inorganic Syntheses: Reagents for Transition Metal Complex and Organometallic Syntheses. 1990. V. 28. P. 189.
  11. 11. Kalz K.F., Kindermann N., Sheng-Qi Xiang et al. // Organometallics. 2014. V. 33. P. 1475.
  12. 12. Pomeroy R.K. // Comprehensive Organometallic Chemistry II. V. 7 / Eds. Abel E.W., Stone F.G.A. and Wilkinson G. Oxford: Pergamon Press, 1995. P. 835.
  13. 13. Davison A., McCleverty J.A., Wilkinson G. // J. Chem. Soc. 1963. P. 1133.
  14. 14. Fischer R.D., Vogler A., Noack K. // J. Organomet. Chem. 1967. V. 7. P. 135.
  15. 15. Wilkinson G. // J. Am. Chem. Soc. 1952. V. 74. P. 6146.
  16. 16. Haines R.J., Preez A.L. // Dalton Trans. 1972. P. 945.
  17. 17. Blackmore T., Cotton J.D., Bruce M.I., Stone F.G.A. // J. Chem. Soc. A. 1968. P. 2932.
  18. 18. Knox S.A.R., Morris M.J. // Dalton Trans. 1987. P. 2087.
  19. 19. Sheldrick G.M. SADABS. Madison (WI, USA): Bruker AXS Inc., 1997.
  20. 20. Sheldrick G.M. // Acta Crystallogr. C. 2015. V. 71. P. 3.
  21. 21. Frisch M.J., Trucks G.W., Schlegel H.B. et al. Gaussian 09. Revision D.01. Wallingford (CT): Gaussian, Inc., 2016.
  22. 22. Perdew J., Ernzerhof M., Burke K. // J. Chem. Phys. 1996. V. 105. P. 9982.
  23. 23. Weigend F. // Phys. Chem. Chem. Phys. 2006. V. 8. P. 1057.
  24. 24. Grimme S., Antony J., Ehrlich S., Krieg H. // J. Chem. Phys. 2010. V. 132. P. 154104.
  25. 25. Grimme S., Ehrlich S., Goerigk L. // J. Comp. Chem. 2011. V. 32. P. 1456.
  26. 26. Keith T. AIMAll (version 19.10.12). TK Gristmill Software. Overland Park KS, USA, 2019 (aim.tkgristmill.com).
  27. 27. Feasey N.D., Forrow N.J., Hogarth G. et al. // J. Organomet. Chem. 1984. V. 267. P. C41.
  28. 28. Neuman M.A., Trinh-Toan, Dahl L.F. // J. Am. Chem. Soc. 1972. V. 94. P. 3383.
  29. 29. Bottomley F., Paez D.E., White P.S. // J. Am. Chem. Soc. 1982. V. 104. P. 5651.
  30. 30. Eremenko I.L., Nefedov S.E., Pasynskii A.A. // J. Organomet. Chem. 1989. V. 368. P. 185.
  31. 31. Bottomley F., Grein F. // Inorg. Chem. 1982. V. 21. P. 4170.
  32. 32. Локшин Б.В., Казарян С.Г., Гинзбург А.Г. // Изв. АН СССР. Cер. хим. 1986. № 11. С. 2605. (Lokshin B.V., Kazaryan S.G., Ginzburg A.G. // Russ. Chem. Bull. 1986. V. 35. P. 2390).
  33. 33. Lokshin B.V., Kazaryan S.G., Ginzburg A.G. // J. Mol. Struct. 1988. V. 174. P. 29.
  34. 34. Hamley P.A., Kazarian S.G., Poliakoff M. // Organometallics. 1994. V. 13. № 5. P. 1767.
  35. 35. Zuhayra M., Kampen W.U., Henze E. et al. // J. Am. Chem. Soc. 2006. V. 128. № 2. P. 424.
  36. 36. Straub T., Haukka M., Pakkanen T.A. // J. Organomet. Chem. 2000. V. 612. P. 106.
  37. 37. Gervasio G., Marabello D., Bianchi R., Forni A. // J. Phys. Chem. A. 2010. V. 114. P. 9368.
  38. 38. Forrow N.J., Knox S.A.R., Morris M.J., Orpen A.G. // Chem. Commun. 1983. P. 234.
  39. 39. Akita M., Hua R., Nakanishi S. et al. // Organometallics. 1997. V. 16. P. 5572.
  40. 40. Kameo H., Sakaki S., Ohki Y. et al. // Inorg. Chem. 2021. V. 60. № 3. P. 1550.
  41. 41. Wilson R.D., Wu S.M., Love R.A., Bau R. // Inorg. Chem. 1978. V. 17. № 5. P. 1271.
  42. 42. Groom C.R., Bruno I.J., Lightfoot M.P., Ward S.C. // Acta Crystallogr. B. 2016. V. 72. P. 171.
  43. 43. Kameo H., Ito Y., Shimogawa R., Koizumi A. et al. // Dalton Trans. 2017. V. 46. P. 5631.
  44. 44. Ohki Y., Uehara N., Suzuki H. // Angew. Chem. Int. Ed. 2002. V. 41. № 21. P. 4085.
  45. 45. Lang S.M., Förtig S.U., Bernhardt T.M. et al. // J. Phys. Chem. A. 2014. V. 118. P. 8356.
  46. 46. Johnston V.J., Einstein F.W.B., Pomeroy R.K. // Organometallics. 1988. V. 7. P. 1867.
  47. 47. Rheingold A.L., Haggerty B.S., Geoffroy G.L., Han S.-H. // J. Organomet. Chem. 1990. V. 384. P. 209.
  48. 48. McPartlin M., Nelson W.J.H. // Dalton Trans. 1986. P. 1557.
  49. 49. Matta C.F., Boyd R.J. The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design. Weinheim: Wiley-VCH Verlag GmbH & Co. KgaA, 2007.
  50. 50. Espinosa E., Molins E., Lecomte C. // Chem. Phys. Lett. 1998. V. 285. P. 170.
  51. 51. Romanova A.A., Lyssenko K.A., Ananyev I.V. // J. Comput. Chem. 2018. V. 39. P. 1607.
  52. 52. Lyssenko K. // Mendeleev Commun. 2012. V. 22. P. 1.
  53. 53. Borissova A.O., Korlyukov A.A., Antipin M.Yu., Lyssenko K.A. // J. Phys. Chem. A. 2008. V. 112. P. 11519.
  54. 54. Ananyev I.V., Nefedov S.E., Lyssenko K.A. // Eur. J. Inorg. Chem. 2013. V. 2013. P. 2736.
  55. 55. Puntus L.N., Lyssenko K.A., Antipin M.Yu., Buenzli J.-C.G. // Inorg. Chem. 2008. V. 47. P. 11095.
  56. 56. Ananyev I.V., Karnoukhova V.A., Dmitrienko A.O., Lyssenko K.A. // J. Phys. Chem. A. 2017. V. 121. P. 4517.
  57. 57. Ананьев И.В., Медведев М.Г., Алдошин С.М. et al. // Изв. АН. Cер. хим. 2016. № 6. С. 1473 (Ananyev I.V., Medvedev M.G., Aldoshin S.M. et al. // Russ. Chem. Bull. 2016. V. 65. P. 1473).
  58. 58. Cremer D., Wu A., Larsson A., Kraka E. // J. Mol. Model. 2000. V. 6. P. 396.
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