The nature of the metal-silicon bond in [M(SiR3)H3(PPH3)3](M = Ru, Os) and the crystal structure of [Os{Si(N-pyrrolyl)3}H3(PPh3)3]

Chemistry - A European Journal

Volumn 3, Issue 10, 1997, Pages 1608-1616

  Hübler, Klaus ^a   Hübler, Ute ^a   Roper, Warren R ^a   Schwerdtfeger, Peter ^a   Wright, L James ^a  

^a UNIVERSITY OF AUCKLAND   (New Zealand)

Author keywords

Ab initio calculation; Hydrides; Osmium; Ruthenium; Silicon

Indexed keywords

EID: 0038890363     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.19970031010     Document Type: Article

References (54)

1. a) J. F. Harrod. ACS Symp. Ser. 1988, 360, 89;
2. b) T. D. Tilley. Acc. Chem. Res. 1993, 26, 22.
3. For a review see: I. Ojima in The Chemistry of Organic Silicon Compounds (Eds.: S. Patai, Z. Rappoport), Wiley, New York, 1989, ch. 25.
4. U. Schubert, Adv. Organomet. Chem. 1990, 30, 151.
5. L. J. Procopio, D. H. Berry, J. Am. Chem. Soc. 1991, 113, 4039.
6. H. Kono, N. Wakao, K. Ito, Y. Nagai, J. Organomet. Chem. 1977, 132, 53.
7. R. N. Haszeldine, L. S. Malkin, R. V. Parish, J. Organomet. Chem. 1979, 182, 323.
8. U. Schubert, S. Gilbert, S. Mock, Chem. Ber. 1992, 125, 835.
9. A. R. Siedle, R. A. Newmark, L. H. Pignolet, Inorg. Chem. 1986, 25, 3412.
10. M. L. Buil, P. Espinet, M. A. Esteruelas, F. J. Lahoz, A. Lledós, J. M. Martinez-Ilarduya, F. Maseras, J. Modrego, E. Oñate, L. A. Oro, E. Sola, C. Valero, Inorg. Chem. 1996, 35, 1250.
11. K. G. Moloy, J. L. Petersen, J. Am. Chem. Soc. 1995, 117, 7696.
12. R. O. Harris, N. K. Hota, L. Sadavoy, J. M. C. Yuen, J. Organomet. Chem. 1973, 54, 259.
13. J. J. Levison, S. D. Robinson, J. Chem. Soc. A 1970, 2947.
14. th International Conference on Organometallic Chemistry, Brisbane (Australia), July 7-12 1996, Program & Abstract Book, p. 172.
15. th International Conference on Organometallic Chemistry, Brisbane (Australia), July 7-12 1996, Program & Abstract Book, p. 172.
16. th International Conference on Organometallic Chemistry, Brisbane (Australia), July 7-12 1996, Program & Abstract Book, p. 172.
17. th International Conference on Organometallic Chemistry, Brisbane (Australia), July 7-12 1996, Program & Abstract Book, p. 172.
18. th International Conference on Organometallic Chemistry, Brisbane (Australia), July 7-12 1996, Program & Abstract Book, p. 172.
19. C. Hampton, W. R. Cullen, B. R. James, J.-P. Charland, J. Am. Chem. Soc. 1988, 110, 6918.
20. F. Maserasm A. Lledós, M. Costas, J. M. Poblet, Organometallics 1996, 15, 2947.
21. P. J. Desrosiers, L. Cai, Z. Lin, R. Richards, J. Halpern, J. Am. Chem. Soc. 1991, 113, 4173.
22. F. H. Allen, O. Kennard, 3D Search and Research Using the Cambridge Structural Database, in Chem. Des. Autom. News, 1993, 8, 1 & 31.
23. M. Motevalli, M. B. Hursthouse, A. R. Barron, G. Wilkinson, Acta Crystallogr. 1987, C43, 214.
24. 3 complexes. These results will be published subsequently.
25. C. E. F. Rickard, W. R. Roper, D. M. Salter, L. J. Wright, J. Am. Chem. Soc. 1992, 114, 9682.
26. R. D. Adams, J. E. Cortopassi, M. P. Pompeo, Inorg. Chem. 1991, 30, 2960 and 1992, 31, 2563.
27. R. D. Adams, J. E. Cortopassi, M. P. Pompeo, Inorg. Chem. 1991, 30, 2960 and 1992, 31, 2563.
28. L. K. Woo, D. A. Smith, V. G. Young, Jr., Organometallics 1991, 10, 3977.
29. D. M. Salter, The Synthesis and Reactivity of New Ruthenium and Osmium Silyl Complexes, PhD thesis, Auckland (NZ) 1993.
30. O. D. Häberlen, N. Rösch, J. Phys. Chem. 1993, 97, 4970.
31. Z. Lin, M. B. Hall, Coord. Chem. Rev. 1994, 135, 845.
32. A. Mavridis, J. F. Harrison, J. Phys. Chem. 1982, 86, 1979.
33. A. E. Reed, F. Weinhold, J. Chem. Phys. 1985, 83, 1736; A. E. Reed, P. v. R. Schleyer, J. Am. Chem. Soc. 1990, 112, 1434.
34. A. E. Reed, F. Weinhold, J. Chem. Phys. 1985, 83, 1736; A. E. Reed, P. v. R. Schleyer, J. Am. Chem. Soc. 1990, 112, 1434.
35. E. D. Glendening, A. E. Reed, J. E. Carpenter, F. Weinhold, NBO Version 3.1.
36. A. Streitwieser, Jr., C. H. Heathcock, Introduction to Organic Chemistry, 2nd ed., Macmillan, New York, 1981, p. 71.
37. D. D. Perrin, W. L. F. Armarego, Purification of Laboratory Chemicals, 3rd ed., Pergamon, New York, 1988.
38. a) International Tables for Crystallography, Vol. A, Space-Group Symmetry (Ed.: T. Hahn), 2nd ed., Reidel, Dordrecht (NL), 1984;
39. b) G. M. Sheldrick, SHELXTL/PC, Version 5.0, Siemens, Madison, Wisconsin, 1995.
40. M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, 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, J. A. Pople, Gaussian 94, Revision D.3, Gaussian, Pittsburgh PA, 1995.
41. C. Møller, M. S. Plesset, Phys. Rev. 1934, 46, 618.
42. A. D. Becke, Phys. Rev. 1988, A38, 3098.
43. C. Lee, W. Yang, R. G. Parr, Phys. Rev. 1988, B37, 785; B. Miehlich, A. Savin, H. Stoll, H. Preuss, Chem. Phys. Lett. 1989, 157, 200.
44. C. Lee, W. Yang, R. G. Parr, Phys. Rev. 1988, B37, 785; B. Miehlich, A. Savin, H. Stoll, H. Preuss, Chem. Phys. Lett. 1989, 157, 200.
45. P. J. Hay, W. R. Wadt, J. Chem. Phys. 1985, 82, 299.
46. W. R. Wadt, P. J. Hay, J. Chem. Phys. 1985, 82, 284.
47. M. M. Francl, W. J. Pietro, W. J. Hehre, J. S. Binkley, M. S. Gordon, D. J. DeFrees, J. A. Pople, J. Chem. Phys. 1982, 77, 3654.
48. T. H. Dunning, Jr., P. J. Hay, in Modern Theoretical Chemistry (Ed.: H. F. Schaefer, III), Plenum, New York, 1976, p. 1ff.
49. R. Ditchfield, W. J. Hehre, J. A. Pople, J. Chem. Phys. 1971, 54, 724; W. J. Hehre, R. Ditchfield, J. A. Pople, ibid. 1972, 56, 2257; P. C. Hariharan, J. A. Pople, Mol. Phys. 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett. 1980, 76, 163; P. C. Hariharan, J. A. Pople, Theor. Chim. Acta. 1973, 28, 213.
50. R. Ditchfield, W. J. Hehre, J. A. Pople, J. Chem. Phys. 1971, 54, 724; W. J. Hehre, R. Ditchfield, J. A. Pople, ibid. 1972, 56, 2257; P. C. Hariharan, J. A. Pople, Mol. Phys. 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett. 1980, 76, 163; P. C. Hariharan, J. A. Pople, Theor. Chim. Acta. 1973, 28, 213.
51. R. Ditchfield, W. J. Hehre, J. A. Pople, J. Chem. Phys. 1971, 54, 724; W. J. Hehre, R. Ditchfield, J. A. Pople, ibid. 1972, 56, 2257; P. C. Hariharan, J. A. Pople, Mol. Phys. 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett. 1980, 76, 163; P. C. Hariharan, J. A. Pople, Theor. Chim. Acta. 1973, 28, 213.
52. R. Ditchfield, W. J. Hehre, J. A. Pople, J. Chem. Phys. 1971, 54, 724; W. J. Hehre, R. Ditchfield, J. A. Pople, ibid. 1972, 56, 2257; P. C. Hariharan, J. A. Pople, Mol. Phys. 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett. 1980, 76, 163; P. C. Hariharan, J. A. Pople, Theor. Chim. Acta. 1973, 28, 213.
53. R. Ditchfield, W. J. Hehre, J. A. Pople, J. Chem. Phys. 1971, 54, 724; W. J. Hehre, R. Ditchfield, J. A. Pople, ibid. 1972, 56, 2257; P. C. Hariharan, J. A. Pople, Mol. Phys. 1974, 27, 209; M. S. Gordon, Chem. Phys. Lett. 1980, 76, 163; P. C. Hariharan, J. A. Pople, Theor. Chim. Acta. 1973, 28, 213.
54. G. Schaftenaar, Program MOLDEN 3.0. CAOS/CAMM Center (The Netherlands).