Heterolytic dihydrogen activation in an iridium complex with a pendant basic group

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Dong-Heon Lee, Ben P. Patel, Robert H. Crabtree, Eric Clot and Odile Eisenstein


Abstract

Experimental and theoretical studies show that H2 reacts with an Ir phosphine complex having a basic pendant amino group to give either an H2 or an Ir–H···H–N hydrogen-bonded hydride complex, depending on the basicity of the phosphine ligands.


References

  1. D. M. Heinekey and W. J. Oldham Jr., Chem. Rev., 1993, 93, 913 CrossRef CAS.
  2. R. H. Crabtree, Angew. Chem., Int. Ed. Engl., 1992, 32, 789 CrossRef.
  3. P. J. Brothers, Prog. Inorg. Chem., 1981, 28, 1 CAS.
  4. J. Huhmann-Vincent, B. L. Scott and G. J. Kubas, J. Am. Chem. Soc., 1998, 120, 6808 CrossRef CAS.
  5. K. T. Smith, M. Tilset, R. Kuhlman and K. G. Caulton, J. Am. Chem. Soc., 1995, 117, 9473 CrossRef CAS.
  6. M. Schlaf, A. J. Lough, P. A. Maltby and R. H. Morris, Organometallics, 1996, 15, 2270 CrossRef CAS.
  7. B. P. Patel and R. H. Crabtree, J. Am. Chem. Soc., 1996, 118, 13105 CrossRef CAS.
  8. R. H. Crabtree, M. Lavin and L. Bonneviot, J. Am. Chem. Soc., 1986, 108, 4032 CrossRef CAS.
  9. A. Tolman, Chem Rev., 1977, 77, 313 CrossRef CAS.
  10. K. Gruet, D.-H. Lee and R. H. Crabtree, unpublished work.
  11. R. H. Crabtree, P. E. M. Siegbahn, O. Eisenstein, A. L. Rheingold and T. F. Koetzle, Acc. Chem. Res., 1996, 29, 348 CrossRef CAS; A. J. Lough and R. H. Morris, Inorg. Chem., 1995, 34, 1549.
  12. Gaussian 94, Revision B.3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Kerth, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez and J. A. Pople, Gaussian Inc, Pittsburgh PA, 1995.
  13. A. D. Becke, J. Chem. Phys., 1993, 98, 5648 CrossRef CAS.
  14. J. P. Perdew and Y. Wang, Phys. Rev. B, 1992, 45, 13244 CrossRef.
  15. P. J. Hay and W. R. Wadt, J. Chem. Phys., 1985, 82, 299 CrossRef CAS.
  16. W. R. Wadt and P. J. Hay, J. Chem. Phys., 1985, 82, 284 CrossRef CAS.
  17. A. Hölwarth, M. Böhme, S. Dapprich, A. W. Ehlers, A. Gobbi, V. Jonas, K. Köhler, R. Stegmann, A. Veldkamp and G. Feenking, Chem. Phys. Lett., 1993, 208, 237 CrossRef.
  18. W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257 CrossRef CAS.
  19. P. C. Harihan and J. A. Pople, Theor. Chim. Acta, 1973, 28, 213 CrossRef CAS.
  20. G. Jia and R. H. Morris, J. Am. Chem. Soc., 1991, 113, 875 CrossRef CAS.
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