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DOI: 10.1039/A707191D (Paper) Reference Section for: J. Chem. Soc., Dalton Trans., 1998, 819-824

Reaction of [Mo6S8(PEt3)6] and NOBF4: structure and molecular orbital calculation of an octahedral cluster complex [Mo6S8(NO)(PEt3)5][hair space]‡

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Jun Mizutani, Shingo Amari, Hideo Imoto and Taro Saito

Abstract

An octahedral cluster complex [Mo6S8(NO)(PEt3)5] 2 and a dodecanuclear cluster complex [Mo12S16(PEt3)10] have been obtained by the reaction of [Mo6S8(PEt3)6] with NOBF4. A crystallographic study of 2 shows a tetragonal distortion of the cluster core where the nitrosyl-co-ordinated molybdenum atom projects outward. Molecular orbital calculations on 2 indicate that the distortion of the cluster core enhances the π-back donation to the nitrosyl ligand.

References

  1. P. Lemoine, Coord. Chem. Rev., 1988, 83, 169 CrossRef CAS; P. Zanello, Coord. Chem. Rev., 1988, 83, 199 CrossRef CAS; R. H. Holm, Adv. Inorg. Chem., 1992, 38, 1 CAS; I. Dance and K. Fisher, Prog. Inorg. Chem., 1994, 41, 637 CAS; M. G. Kanatzidis and S. P. Huang, Coord. Chem. Rev., 1994, 130, 509 CrossRef CAS; T. Saito, in Early Transition Metal Clusters with π-Donor Ligands, ed. M. H. Chisholm, VCH, New York, 1995, ch. 3, pp. 63–164 Search PubMed; T. Saito, H. Imoto, K. Tsuge, S. Mita, J. Mizutani, S. Yamada and H. Fujita, ACS Symp. Ser., 1996, 653, 240 Search PubMed; T. Saito, Adv. Inorg. Chem., 1997, 44, 45 CAS.
  2. T. Saito, N. Yamamoto, T. Nagase, T. Tsuboi, K. Kobayashi, T. Yamagata, H. Imoto and K. Unoura, Inorg. Chem., 1990, 29, 764 CrossRef CAS.
  3. A. C. T. North, D. C. Phillips and F. S. Mathews, Acta Crystallogr., Sect. A, 1968, 24, 351 CrossRef.
  4. TEXSAN, Crystal Structure Analysis Package, Molecular Structure Corporation, Houston, TX, 1985–1992.
  5. D. T. Cromer and J. T. Waber, in International Tables for X-Ray Crystallography, ed. T. Hahn, Kynoch Press, Birmingham, 1974, vol. IV, Table 2.2A Search PubMed.
  6. J. A. Ibers and W. C. Hamilton, Acta Crystallogr., 1964, 17, 781 CrossRef.
  7. A. Altomare, G. Cascarano, C. Giacovazzo and A. Guagliardi, J. Appl. Crystallogr., 1993, 26, 343 CrossRef.
  8. W. R. Busing, K. O. Martin and H. A. Levy, ORFLS, A FORTRAN Crystallographic Least Squares Program, Report ORNL-TM-305, Oak Ridge National Laboratory, Oak Ridge, TN, 1962.
  9. C. J. Slater, The Calculation of Molecular Orbitals, Wiley, New York, 1979, p. 52 Search PubMed; F. W. Averill and D. E. Ellis, J. Chem. Phys., 1973, 59, 6412 Search PubMed.
  10. A. Rosén, D. E. Ellis, H. Adachi and F. W. Averill, J. Chem. Phys., 1976, 65, 3629 CrossRef CAS; H. Adachi, M. Tsukada and C. Satoko, J. Phys. Soc. Jpn., 1978, 45, 875 Search PubMed; C. Satoko, M. Tsukada and H. Adachi, J. Phys. Soc. Jpn., 1978, 45, 1333 Search PubMed; H. Adachi, S. Shiokawa, M. Tsukada, C. Satoko and S. Sugano, J. Phys. Soc. Jpn., 1979, 47, 1528 Search PubMed.
  11. P. O. Löwdin, Adv. Quantum Chem., 1970, 5, 185 Search PubMed; A. Szabo and N. S. Ostlund, Modern Quantum Chemistry, McGraw-Hill, New York, revised 1st edn., 1989, p. 149 Search PubMed.
  12. H. Imoto, T. Saito and H. Adachi, Inorg. Chem., 1995, 34, 2415 CrossRef CAS.
  13. D. M. P. Mingos and D. J. Sherman, Adv. Inorg. Chem., 1989, 34, 293.
  14. K. Nakamoto, Infrared and Raman Spectra of Inorganic and Coordination Compounds, Wiley, New York, 4th edn., 1986, pp. 309 and 310 Search PubMed; G. Wilkinson and F. A. Cotton, Advanced Inorganic Chemistry, Wiley, New York, 5th edn., 1988, pp. 338 and 339 Search PubMed.
  15. W. L. Gladfelter, Adv. Organomet. Chem., 1985, 24, 41 CAS.
  16. N. G. Connelly and W. E. Geiger, Chem. Rev., 1996, 96, 877 CrossRef CAS.
  17. S. Amari, H. Imoto and T. Saito, Chem. Lett., 1997, 967 CrossRef CAS.
  18. R. Chevrel and M. Sergent, in Superconductivity in Ternary Compounds, eds. Ø. Fischer and M. B. Maple, Springer, Berlin, 1982, vol. I, ch. 2, pp. 25–83 Search PubMed.
  19. F. Cecconi, C. A. Ghilardi, S. Midollini and A. Orlandini, Inorg. Chim. Acta, 1993, 214, 13 CrossRef CAS.
  20. S. Kamiguchi, H. Imoto and T. Saito, Chem. Lett., 1996, 555 CAS.
  21. Z. Zheng, J. R. Long and R. H. Holm, J. Am. Chem. Soc., 1997, 119, 2163 CrossRef CAS.
  22. F. Bottomley, Coord. Chem. Rev., 1978, 26, 7 CrossRef CAS.
  23. R. D. Feltham and J. H. Enemark, Top. Stereochem., 1981, 12, 155 Search PubMed.
  24. X. Xie and R. E. McCarley, Inorg. Chem., 1995, 34, 4454 CrossRef CAS.
  25. C. G. Pierpont and R. Eisenberg, J. Am. Chem. Soc., 1971, 93, 4905 CrossRef; R. F. Fenske and R. L. DeKock, Inorg. Chem., 1972, 11, 437 CrossRef CAS; D. M. P. Mingos, Inorg. Chem., 1973, 12, 1209 CrossRef CAS; J. H. Enemark and R. D. Feltham, J. Am. Chem. Soc., 1974, 96, 5002 5004; R. Hoffmann, M. M. L. Chen, M. Elian, A. R. Rossi and D. M. P. Mingos, Inorg. Chem., 1974, 13, 2666 CrossRef CAS; R. Hoffmann, M. M. L. Chen and D. L. Thorn, Inorg. Chem., 1977, 16, 503 CrossRef CAS; R. F. Fenske and J. R. Jensen, J. Chem. Phys., 1979, 71, 3374 CrossRef CAS.
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