Bonding interactions between nitrous oxide (N2O) and mono-ruthenium substituted Keggin-type polyoxometalates: Electronic structures of ruthenium/N2O adducts

European Journal of Inorganic Chemistry

Volumn , Issue 4, 2011, Pages 489-494

  Liu, Chun Guang ^a,b   Guan, Wei ^a   Yan, Li Kai ^a   Su, Zhong Min ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b NORTHEAST ELECTRIC POWER UNIVERSITY   (China)

Author keywords

Bonding interactions; Density functional calculations; Nitrous oxide; Polyoxometalates; Ruthenium

Indexed keywords

CHEMICAL BONDS; ELECTRONIC STRUCTURE; MOLECULES; ORGANIC SOLVENTS; OXIDES; RUTHENIUM COMPOUNDS;

BONDING INTERACTIONS; DENSITY-FUNCTIONAL CALCULATIONS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; DIANIONS; DIPHENYLPHOSPHANE; ELECTRONIC.STRUCTURE; KEGGIN-TYPE; NITROUS OXIDE; POLYOXOMETALATES; TETRA-HYDROFURAN;

DENSITY FUNCTIONAL THEORY;

EID: 79251550176     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.201000907     Document Type: Article

References (59)

1. R. E. Dickinson, R. J. Cicerone, Nature 1986, 319, 109-115.
2. R. J. Cicerone, Science 1987, 237, 35-42.
3. R. J. Cicerone, Geophys. Res. 1989, 94, 18265-18271.
4. W. C. Trogler, Coord. Chem. Rev. 1999, 187, 303-327.
5. P. Chen, I. Cabrito, J. J. G. Moura, I. Moura, E. I. Solomon, J. Am. Chem. Soc. 2002, 124, 10497-10507, and references cited therein
6. H. Z. Yu, G. C. Jia, Z. Y. Lin, Organometallics 2009, 28, 1158-1164.
7. R. R. Conry, J. M. Mayer, Inorg. Chem. 1990, 29, 4862-4867.
8. A. W. Kaplan, R. G. Bergman, Organometallics 1998, 17, 5072-5085.
9. For example: F. Bottomley, D. E. Paez, P. S. White, J. Am. Chem. Soc. 1981, 103, 5581-5582.
10. F. Bottomley, D. E. Paez, P. S. White, J. Am. Chem. Soc. 1982, 104, 5651-5657.
11. M. J. Almond, A. J. Downs, R. N. Perutz, Inorg. Chem. 1985, 24, 275-281.
12. F. Bottomley, G. O. Egharevba, I. J. B. Lin, P. S. White, Organometallics 1985, 4, 550-553.
13. A. R. Chadeayne, P. T. Wolczanski, E. B. Lobkovsky, Inorg. Chem. 2004, 43, 3421-3432.
14. S. I. Gorelsky, S. Ghosh, E. I. Solomon, J. Am. Chem. Soc. 2006, 128, 278-290.
15. F. Rondinelli, N. Russo, M. Toscano, Inorg. Chem. 2007, 46, 7489-7493.
16. K. Fujita, D. M. Dooley, Inorg. Chem. 2007, 46, 613-615.
17. W. H. Harman, C. J. Chang, J. Am. Chem. Soc. 2007, 129, 15128-15129.
18. S. Ghosh, S. I. Gorelsky, S. D. George, J. M. Chan, I. Cabrito, D. M. Dooley, J. J. G. Moura, I. Moura, E. I. Solomon, J. Am. Chem. Soc. 2007, 129, 3955-3965.
19. H. Yu, G. Jia, Z. Lin, Organometallics 2007, 26, 6769-6777.
20. H. Yu, G. Jia, Z. Lin, Organometallics 2008, 27, 3825-3833.
21. E. Otten, R. C. Neu, D. W. Stephan, J. Am. Chem. Soc. 2009, 131, 9918-9919.
22. I. B. Nahum, A. K. Gupta, S. M. Huber, M. Z. Ertem, C. J. Cramer, W. B. Tolman, J. Am. Chem. Soc. 2009, 131, 2818-2820.
23. J. N. Armor, H. Taube, J. Am. Chem. Soc. 1969, 91, 6874-6876.
24. J. N. T. Armor, J. Chem. Soc., Chem. Commun. 1971, 287-288.
25. C. B. Pamplin, E. S. F. Ma, N. Safari, S. J. Rettig, B. R. James, J. Am. Chem. Soc. 2001, 123, 8596-8597.
26. J. T. Groves, J. S. Roman, J. Am. Chem. Soc. 1995, 117, 5594-5595.
27. C. L. Hill, Chem. Rev. 1998, 98, 1-2.
28. A. Proust, R. Thouvenot, P. Gouzerh, Chem. Commun. 2008, 1837-1852.
29. R. Ben-Daniel, L. Weiner, R. Neumann, J. Am. Chem. Soc. 2002, 124, 8788-8789.
30. R. Ben-Daniel, R. Neumann, Angew. Chem. Int. Ed. 2003, 42, 92-95.
31. J. Ettedgui, R. Neumann, J. Am. Chem. Soc. 2009, 131, 4-5.
32. A. M. Khenkin, D. Kumar, S. Shaik, R. Neumann, J. Am. Chem. Soc. 2006, 128, 15451-15460.
33. C. L. Hill, R. B. Brown, J. Am. Chem. Soc. 1986, 108, 536-538.
34. D. Mansuy, J. F. Bartoli, P. Battioni, D. K. Lyon, R. G. Finke, J. Am. Chem. Soc. 1991, 113, 7222-7226.
35. P. T. Meiklejohn, M. T. Pope, R. A. Prados, J. Am. Chem. Soc. 1974, 96, 6779-6781.
36. F. Ortega, M. T. Pope, Inorg. Chem. 1984, 23, 3292-3297.
37. X. Wei, R. E. Bachman, M. T. Pope, J. Am. Chem. Soc. 1998, 120, 10248-10253.
38. S. P. de Visser, D. Kumar, R. Neumann, S. Shaik, Angew. Chem. Int. Ed. 2004, 43, 5661-5665, and references cited therein.
39. C. Rong, M. T. Pope, J. Am. Chem. Soc. 1992, 114, 2932-2938.
40. M. T. Pope, A. Müller, Angew. Chem. Int. Ed. Engl. 1991, 30, 34-48.
41. M. Sadakane, E. Steckhan, Chem. Rev. 1998, 98, 219-238.
42. S. Romo, N. S. Antonova, J. J. Carbo, J. M. Poblet, Dalton Trans. 2008, 5166-5172.
43. C. G. Liu, Z. M. Su, W. Guan, L. K. Yan, Inorg. Chem. 2009, 48, 541-548.
44. C. G. Liu, W. Guan, L. K. Yan, P. Song, Z. M. Su, Dalton Trans. 2009, 6208-6213.
45. A. D. Becke, Phys. Rev. A 1988, 38, 3098-3100.
46. J. P. Perdew, Phys. Rev. B 1986, 33, 8822-8824.
47. S. H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 1980, 58, 1200-1211.
48. For chemistry with ADF, see:, G. Te Velde, F. M. Bickelhaupt, E. J. Baerends, C. Fonseca Guerra, S. J. A. van Gisbergen, J. G. Snijders, T. Ziegler, J. Comput. Chem. 2001, 22, 931-967.
49. C. Fonseca Guerra, J. G. Snijders, G. te Velde, E. J. Baerends, Theor. Chem. Acc. 1998, 99, 391-403.
50. ADF 2008.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands,.
51. C. Chang, M. Pelissier, M. Durand, Phys. Scr. 1986, 34, 394-404.
52. E. van Lenthe, E. J. Baerends, J. G. Snijders, J. Chem. Phys. 1993, 99, 4597-4610.
53. E. van Lenthe, E. J. Baerends, J. G. Snijders, J. Chem. Phys. 1994, 101, 9783-9792.
54. E. van Lenthe, R. van Leeuwen, E. J. Baerends, J. G. Snijders, Int. J. Quantum Chem. 1996, 57, 281-293.
55. K. Morokuma, J. Chem. Phys. 1971, 55, 1236-1244.
56. T. Ziegler, A. Rauk, Inorg. Chem. 1979, 18, 1755-1759.
57. T. Ziegler, A. Rauk, Inorg. Chem. 1979, 18, 1558-1565.
58. G. Frenking, K. Wichmann, N. Fröhlich, C. Loschen, M. Lein, J. Lein, V. M. Rayon, Coord. Chem. Rev. 2003, 238-239, 55-82.
59. F. Paulat, T. Kuschel, C. Nather, V. K. K. Praneeth, O. Sander, N. Lehnert, Inorg. Chem. 2004, 43, 6979-6994.