White phosphorus activation at a metal-phosphorus triple bond: A new route to cyclo-triphosphorus or cyclo-pentaphosphorus complexes of niobium

Inorganic Chemistry

Volumn 50, Issue 24, 2011, Pages 12349-12358

  Tofan, Daniel ^a   Cossairt, Brandi M ^a   Cummins, Christopher C ^a  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84055212296     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic2014607     Document Type: Article

References (47)

1. Di Vaira, M.; Ghilardi, C. A.; Midollini, S.; Sacconi, L. J. Am. Chem. Soc. 1978, 100, 2550-2551.
2. Caporali, M.; Gonsalvi, L.; Rossin, A.; Peruzzini, M. Chem. Rev. 2010, 110, 4178-4235.
3. Cossairt, B. M.; Piro, N. A.; Cummins, C. C. Chem. Rev. 2010, 110, 4164-4177.
4. Hoffmann, R. Angew. Chem., Int. Ed. Engl. 1982, 21, 711-724.
5. Piro, N. A.; Cummins, C. C. J. Am. Chem. Soc. 2008, 130, 9524-9535.
6. Piro, N. A.; Figueroa, J. S.; McKellar, J. T.; Cummins, C. C. Science 2006, 313, 1276-1279.
7. Cossairt, B. M.; Diawara, M.-C.; Cummins, C. C. Science 2009, 323, 602.
8. Scheer, M.; Bal-azs, G.; Seitz, A. Chem. Rev. 2010, 110, 4236-4256.
9. Figueroa, J. S.; Cummins, C. C. Angew. Chem., Int. Ed. 2004, 43, 984-988.
10. Spek, A. L. Acta Crystallogr. 2009, D65, 148-155.
11. Budzelaar, P. H. M. gNMR, NMR Simulation Program, version 5.0.6.0; Ivory Software Corp.: Centennial, CO, 2006.
12. Spinney, H. A.; Piro, N. A.; Cummins, C. C. J. Am. Chem. Soc. 2009, 131, 16233-16243.
13. Cambridge Structural Database deposition numbers 824686 and 824687, The Cambridge Crystallographic Data Centre, Cambridge, U.K.
14. Hirsekorn, K. F.; Veige, A. S.; Wolczanski, P. T. J. Am. Chem. Soc. 2006, 128, 2192-2193.
15. Baudler, M.; Glinka, K. Chem. Rev. 1993, 93, 1623-1667.
16. (a) Wanandi, P. W.; Davis, W. M.; Cummins, C. C.; Russell, M. A.; Wilcox, D. E. J. Am. Chem. Soc. 1995, 117, 2110-2111.
17. (b) Ruppa, K. B. P.; Desmangles, N.; Gambarotta, S.; Yap, G.; Rheingold, A. L. Inorg. Chem. 1997, 36, 1194-1197.
18. Cotton, F. A.; LaPrade, M. D. J. Am. Chem. Soc. 1968, 90, 5418-5422.
19. Urnius, E.; Brennessel, W. W.; Cramer, C. J.; Ellis, J. E.; von Rague Schleyer, P. Science 2002, 295, 832-834.
20. (a) Gumsheimer, U. Reactions of Complexes of the Type [CpRM(CO)3X] (M = Mo, W; X = Me, H) with [CpR0 Fe(η 5-P5)] and White Phosphorus. Ph.D. Thesis, Universitat Kaiserslautern, Kaiserslautern, Germany, 2002
21. (b) Peruzzini, M.; Abdreimova, R. R.; Budnikova, Y.; Romerosa, A.; Scherer, O. J.; Sitzmann, H. J. Organomet. Chem. 2004, 689, 4319-4331.
22. Detzel, M.; Mohr, T.; Scherer, O. J.; Wolmershäuser, G. Angew. Chem., Int. Ed. 1994, 33, 1110-1112.
23. (a) Scherer, O. J.; Hübel, B.; Wolmershäuser, G. Angew. Chem., Int. Ed. 1992, 31, 1027-1028.
24. (b) Scherer, O. J.; Berg, G.; Wolmershäuser, G. Chem. Ber. 1996, 129, 53-58.
25. (c) Scherer, O. J.; Vömecke, T.; Wolmershäuser, G. Eur. J. Inorg. Chem. 1999, 1999, 945-949.
26. Cecconi, F.; Ghilardi, C. A.; Midollini, S.; Orlandini, A. J. Am. Chem. Soc. 1984, 106, 3667-3668.
27. Cossairt, B. M.; Cummins, C. C. J. Am. Chem. Soc. 2009, 131, 15501-15511.
28. (a) Wohlfarth, C. Permittivity (Dielectric Constant) of Liquids. In CRC Handbook of Chemistry and Physics, 91st ed.; Haynes, W. M., Ed.; CRC Press: Boca Raton, FL, 2010-2011; pp 187-207
29. (b) Drain, C. M.; Gentemann, S.; Roberts, J. A.; Nelson, N. Y.; Medforth, C. J.; Jia, S.; Simpson, M. C.; Smith, K. M.; Fajer, J.; Shelnutt, J. A.; Holten, D. J. Am. Chem. Soc. 1998, 120, 3781-3791.
30. Galiano-Roth, A. S.; Collum, D. B. J. Am. Chem. Soc. 1989, 111, 6772-6778.
31. Tofan, D.; Cummins, C. C. Angew. Chem., Int. Ed. 2010, 49, 7516-7518.
32. Esterhuysen, C.; Frenking, G. Chem.-Eur. J. 2003, 9, 3518-3529.
33. Koch, W.; Holthausen, M. C. A Chemist's Guide to Density Functional Theory, 2nd ed.; Wiley-VCH: New York, 2001.
34. Neese, F. ORCA-an ab initio, Density Functional and Semiempirical program package, version 2.8.0; University of Bonn: Bonn, Germany, 2009.
35. Sheldrick, G. M. SHELXTL; Bruker AXS, Inc.: Madison, WI, 2005-2011.
36. Sheldrick, G. M. Acta Crystallogr., Sect. A: Fundam. Crystallogr. 1990, 46, 467-473.
37. Sheldrick, G. M. Acta Crystallogr., Sect. A 2008, 64, 112-122.
38. Sheldrick, G. M. SHELXL-97: Program for crystal structure determination; University of Göttingen: Göttingen, Germany, 1997.
39. Müller, P.; Herbst-Irmer, R.; Spek, A. L.; Schneider, T. R.; Sawaya, M. R. In Crystal Structure Refinement: A Crystallographer's Guide to SHELXL; Müller, P., Ed.; IUCr Texts on Crystallography; Oxford University Press: Oxford, U.K., 2006.
40. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via http://www.ccdc.cam.ac.uk/data-request/cif.
41. Perdew, J. P.; Wang, Y. Phys. Rev. B: Condens. Matter 1992, 45, 13244-13249.
42. (a) Becke, A. D. Phys. Rev. A 1988, 38, 3098-3100.
43. (b) Perdew, J. P. Phys. Rev. B: Condens. Matter 1986, 33, 8822-8824.
44. (a) Lenthe, E.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1993, 99, 4597-4610.
45. (b) Heully, J. L.; Lindgren, I.; Lindroth, E.; Lundqvist, S.; Maartensson-Pendrill, A.M. J. Phys. B:At.Mol. Phys. 1986, 19, 2799-2815.
46. Schaefer, A.; Horn, H.; Ahlrichs, R. J. Chem. Phys. 1992, 97, 2571-2577.
47. Sinnecker, S.; Rajendran, A.; Klamt, A.; Diedenhofen, M.; Neese, F. J. Phys. Chem. A 2006, 110, 2235-2245.