Synthesis and theoretical studies of a diorganohydridoplatinum(IV) complex, PtHMe2{(pz)3BH-N,N′N″} ([(pz)3BH]- = tris(pyrazol-1-yl)borate)

Organometallics

Volumn 15, Issue 12, 1996, Pages 2845-2847

  Canty, Allan J ^a   Dedieu, Alain ^b   Jin, Hong ^a   Milet, Anne ^b   Richmond, Matthew K ^a  

^a UNIVERSITY OF TASMANIA   (Australia)

^b UNIVERSITÉ DE STRASBOURG   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001120898     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om950867j     Document Type: Article

References (31)

1. Collman, J. P.; Hegedus, L. S.; Norton, J. R.; Finke, R. G. Principles and Applications of Organotransition Metal Chemistry; University Science Books: Mill Valley, CA, 1987.
2. Anderson, G. K. In Comprehensive Organometallic Chemistry, 2nd ed.; Puddephatt, R. J., Ed.; Pergamon: Oxford, U.K., 1995; Vol. 9, Chapter 9, p 431.
3. (a) De Felice, V.; De Renzi, A.; Panunzi, A.; Tesauro, D. J. Organomet. Chem. 1995, 488, C13.
4. (b) Hill, G. S.; Rendina, L. M.; Puddephatt, R. J. Organometallics 1995, 14, 4966.
5. (c) Stahl, S. S.; Labinger, J. A.; Bercaw, J. E. J. Am. Chem. Soc. 1995, 117, 9371.
6. (a) Trofimenko, S. J. Am. Chem. Soc. 1966, 88, 1842.
7. (b) Trofimenko, S. Chem. Rev. 1993, 93, 943.
8. 3BH] (0.044 g, 0.175 mmol) in acetone (7 mL) was stirred at ambient temperature for 30 min. Phenol (0.015 g, 0.160 mmol) in acetone (1 mL) was added dropwise, and after the mixture was stirred for 4 h, the solvent was removed under vacuum to give a white oily solid. The solid was dissolved in the minimum quantity of acetone and the mixture extracted with diethyl ether (3 × 5 mL) to remove insoluble inorganic products. The solvent was removed under vacuum to give a white powder, which was washed with hexane (3 × 2 mL) and dried under vacuum (0.050 g, 72% yield).
9. 6Pt: C, 30.1; H, 3.9; N, 19.1. Found: C, 31.0; H, 4.1; N, 18.5.
10. Rendina, L. M.; Vittal, J. J.; Puddephatt, R. J. Organometallics 1995, 14, 1030.
11. 8 (0.4 mL) was sealed under argon in a 5 mm NMR tube and the temperature raised in 10 °C intervals from ambient temperature over a period of 3 h. Decomposition was detected above 140 °C, and at 150 °C the decomposition was complete within 10 min.
12. (a) Byers, P. K.; Canty, A. J.; Minchin, N. J.; Patrick, J. M.; Skelton, B. W.; White, A. H. J. Chem. Soc., Dalton Trans. 1985, 1183.
13. (b) Rheingold, A. L.; Haggerty, B. S.; Trofimenko, S. Angew. Chem., Int. Ed. Engl. 1994, 33, 1983.
14. (a) Brammer, L.; Charnock, J. M.; Goggin, P. L.; Goodfellow, R. J.; Orpen, A. G.; Koetzle, T. F. J. Chem. Soc., Dalton Trans. 1991, 1789.
15. (b) Wehman-Ooyevaar, I. C. M.; Grove, D. M.; Kooijman, H.; van der Sluis, P.; Spek, A. L.; van Koten, G. J. Am. Chem. Soc. 1992, 114, 9916.
16. (c) Canty, A. J.; van Koten, G. Acc. Chem. Res. 1995, 28, 406.
17. Brammer, L.; Zhao, D.; Lapido, F. T.; Braddock-Wilking, J. Acta Crystallogr. 1995, B51, 632.
18. Wehman-Ooyevaar, I. C. M.; Grove, D. M.; de Vaal, P.; Dedieu, A.; van Koten, G. Inorg. Chem. 1992, 31, 5484.
19. Milet, A.; Dedieu, A. Theor. Chim. Acta 1995, 92, 361.
20. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision B.2; Gaussian, Inc., Pittsburgh, PA, 1995.
21. Canty, A. J.; Jin, H.; Roberts, A. S.; Skelton, B. W.; Traill, P. R.; White, A. H. Organometallics 1995, 14, 199.
22. Canty, A. J.; Fritsche, S. D.; Jin, H.; Skelton, B. W.; White, A. H. J. Organomet. Chem. 1995, 490, C18.
23. -1, (c) The MP2 calculations were carried out with a frozen core, (d) Total energies (in au) of the local minima are as follows: for 1, SCF -668.1864, MP2//HF -669.5696, MP2//MP2 -669.5897; for 2, SCF -707.1638; for 3, SCF -743.0013; for 4, SCF -668.1851, MP2//HF -669.5337, MP2//MP2 -669.5558.
24. Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 270.
25. Huzinaga, S. Technical Report, University of Alberta, Edmonton, Alberta, Canada, 1971.
26. Huzinaga, S. J. Chem. Phys. 1965, 42, 1293.
27. Milet, A.; Dedieu, A. Unpublished results.
28. -1; thus, the two improvements essentially cancel each other.
29. 3BH}, in excellent agreement with the experimental value (0.16 Å).
30. Hackett, M.; Ibers, J. A.; Whitesides, G. M. J. Am. Chem. Soc. 1988, 110, 1436.
31. 11 An indication of the increase in the covalent character for the Pt system is the change in the geometrical parameters for the Pt⋯H-N unit on going from SCF to MP2: the SCF level gives Pt-H = 2.17 Åand N-H = 1.03 Å; the MP2 level gives 1.89 and 1.11 Å, respectively.