Redox noninnocence of nitrosoarene ligands in transition metal complexes

Inorganic Chemistry

Volumn 50, Issue 12, 2011, Pages 5763-5776

  Tomson, Neil C ^a   Labios, Liezel A ^b   Weyhermüller, Thomas ^a   Figueroa, Joshua S ^b   Wieghardt, Karl ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND; NITROSO DERIVATIVE; ORGANOMETALLIC COMPOUND; TRANSITION ELEMENT;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; OXIDATION REDUCTION REACTION; QUANTUM THEORY; SYNTHESIS; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NITROSO COMPOUNDS; ORGANOMETALLIC COMPOUNDS; OXIDATION-REDUCTION; QUANTUM THEORY; TRANSITION ELEMENTS;

EID: 79958783532     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic2005979     Document Type: Article

References (83)

1. Stiefel, E. I. Dithiolene Chemistry: Synthesis, Properties, and Applications; John Wiley & Sons, Inc.: New York, 2004; Vol. 52.
2. Lu, C. C.; Bill, E.; Weyhermuller, T.; Bothe, E.; Wieghardt, K. J. Am. Chem. Soc. 2008, 130, 3181
3. Bart, S. C.; Chlopek, K.; Bill, E.; Bouwkamp, M. W.; Lobkovsky, E.; Neese, F.; Wieghardt, K.; Chirik, P. J. J. Am. Chem. Soc. 2006, 128, 13901
4. Butin, K. P.; Beloglazkina, E. K.; Zyk, N. V. Russ. Chem. Rev. 2005, 74, 531
5. Mansuy, D.; Battioni, P.; Chottard, J. C.; Riche, C.; Chiaroni, A. J. Am. Chem. Soc. 1983, 105, 455
6. Eady, R. R.; Hasnain, S. S. Denitrification. In Comprehensive Coordination Chemistry II: From Biology to Nanotechnology; McCleverty, J. A.; Meyer, T. J., Eds.; Elsevier Pergamon: Oxford, U.K., 2004; Vol. 8, p 759.
7. Kumar, M. R.; Fukuto, J. M.; Miranda, K. M.; Farmer, P. J. Inorg. Chem. 2010, 49, 6283
8. Paolocci, N.; Saavedra, W. F.; Miranda, K. M.; Martignani, C.; Isoda, T.; Hare, J. M.; Espey, M. G.; Fukuto, J. M.; Feelisch, M.; Wink, D. A.; Kass, D. A. Proc. Natl. Acad. Sci. U.S.A. 2001, 98, 10463
9. Cameron, M.; Gowenlock, B. G.; Vasapollo, G. Chem. Soc. Rev. 1990, 19, 355
10. Lee, J.; Chen, L.; West, A. H.; Richter-Addo, G. B. Chem. Rev. 2002, 102, 1019
11. Rehorek, D. Chem. Soc. Rev. 1991, 20, 341
12. Chaudhuri, P.; Verani, C. N.; Bill, E.; Bothe, E.; Weyhermüller, T.; Wieghardt, K. J. Am. Chem. Soc. 2001, 123, 2213
13. Tolman, W. B. Metal-Radical Arrays. In Comprehensive Coordination Chemistry II: From Biology to Nanotechnology; McCleverty, J. A.; Meyer, T. J., Eds.; Elsevier Pergamon: Oxford, U.K., 2004; Vol. 8, p 715.
14. Whittaker, J. W. Chem. Rev. 2003, 103, 2347
15. Borovik, A. S.; Zinn, P. J.; Zart, M. K. In Activation of Small Molecules; Tolman, W. B., Ed.; Wiley-VCH Verlag GmbH & Co. KGaA: Weinheim, Germany, 2006; p 187.
16. Swanwick, M. G.; Waters, W. A. J. Chem. Soc. D 1970, 930
17. Swanwick, M. G.; Waters, W. A. J. Chem. Soc. B 1971, 1059
18. Atherton, N. M.; Waldram, D. J. Chem. Soc., Faraday Trans. 2 1972, 68, 413
19. Basters, J. Recl. Trav. Chim. Pays-Bas 1972, 91, 50
20. Symons, M. C. R.; Wilkinson, J. G. J. Chem. Soc., Faraday Trans. 2 1972, 68, 1265
21. Waters, W. A. J. Chem. Soc., Chem. Commun. 1972, 1087
22. Mulvey, D.; Waters, W. A. J. Chem. Soc., Perkin Trans. 2 1974, 666
23. Iwasa, T.; Shimada, H.; Takami, A.; Matsuzaka, H.; Ishii, Y.; Hidai, M. Inorg. Chem. 1999, 38, 2851
24. Baldwin, D. A.; Pfeiffer, R. M.; Reichgott, D. W.; Rose, N. J. J. Am. Chem. Soc. 1973, 95, 5152
25. Labios, L. A.; Millard, M. D.; Rheingold, A. L.; Figueroa, J. S. J. Am. Chem. Soc. 2009, 131, 11318
26. Balch, A. L.; Petridis, D. Inorg. Chem. 1969, 8, 2247
27. Burla, M. C.; Caliandro, R.; Camalli, M.; Carrozzini, B.; Cascarano, G. L.; De Caro, L.; Gaicovazzo, C.; Polidori, G.; Spagna, R. J. Appl. Crystallogr. 2005, 38, 381
28. Sheldrick, G. M. Acta Crystallogr., Sect. A: Found. Crystallogr. 2008, 64, 112
29. van der Sluis, P.; Spek, A. L. Acta Crystallogr., Sect. A: Found. Crystallogr. 1990, 46, 194
30. Sheldrick, G.M. SADABS, Bruker-Siemens Area Detector Absorption and Other Correction; University of Göttingen: Göttingen, Germany, 2006; Version 2006/1.
31. ShelXTL, 6.14; Bruker AXS Inc.: Madison, WI, 2003.
32. Sheldrick, G. M. ShelXL97; University of Göttingen: Göttingen, Germany, 1997.
33. Neese, F. Orca, an ab initio, DFT and Semiempirical Electronic Structure Package, versions 2.7 and 2.8; Institut für Physikalische und Theoretische Chemie, Universität Bonn: Bonn, Germany, 2009, - 2010.
34. Perdew, J. P. Phys. Rev. B 1986, 33, 8822
35. Becke, A. D. J. Chem. Phys. 1986, 84, 4524
36. Becke, A. D. J. Chem. Phys. 1993, 98, 5648
37. Lee, C. T.; Yang, W. T.; Parr, R. G. Phys. Rev. B 1988, 37, 785
38. Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623
39. Schäfer, A.; Huber, C.; Ahlrichs, R. J. Chem. Phys. 1994, 100, 5829
40. Schäfer, A.; Horn, H.; Ahlrichs, R. J. Chem. Phys. 1992, 97, 2571
41. Weigend, F.; Ahlrichs, R. Phys. Chem. Chem. Phys. 2005, 7, 3297
42. Polarization functions from Ahlrichs and coworkers, unpublished.
43. Eichkorn, K.; Weigend, F.; Treutler, O.; Ahlrichs, R. Theor. Chem. Acc. 1997, 97, 119
44. Eichkorn, K.; Treutler, O.; Öhm, H.; Häser, M.; Ahlrichs, R. Chem. Phys. Lett. 1995, 240, 283
45. Eichkorn, K.; Treutler, O.; Öhm, H.; Häser, M.; Ahlrichs, R. Chem. Phys. Lett. 1995, 242, 652
46. van Wuellen, C. J. Chem. Phys. 1998, 109, 392-399
47. van Lenthe, E.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1993, 99, 4597
48. van Lenthe, E.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1994, 101, 9783
49. Pantazis, D. A.; Chen, X. Y.; Landis, C. R.; Neese, F. J. Chem. Theory Comput. 2008, 4, 908
50. Grimme, S. J. Comput. Chem. 2004, 25, 1463
51. Grimme, S. J. Comput. Chem. 2006, 27, 1787
52. Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H. J. Chem. Phys. 2010, 132, 154104
53. Klamt, A.; Jonas, V.; Burger, T.; Lohrenz, J. C. W. J. Phys. Chem. A 1998, 102, 5074
54. Neese, F. Inorg. Chim. Acta 2002, 337, 181
55. Römelt, M.; Ye, S.; Neese, F. Inorg. Chem. 2009, 48, 784
56. Ginsberg, A. P. J. Am. Chem. Soc. 1980, 102, 111
57. Noodleman, L.; Peng, C. Y.; Case, D. A.; Mouesca, J. M. Coord. Chem. Rev. 1995, 144, 199
58. Kirchner, B.; Wennmohs, F.; Ye, S.; Neese, F. Curr. Opin. Chem. Biol. 2007, 11, 134
59. Neese, F. J. Phys. Chem. Solids 2004, 65, 781
60. Neese, F. J. Am. Chem. Soc. 2006, 128, 10213
61. Molekel, Advanced Interactive 3D-Graphics for Molecular Sciences; available at http://www.cscs.ch/molkel/.
62. Yamaguchi, K.; Takahara, Y.; Fueno, T. In Applied Quantum Chemistry; Smith, V. H.; Schaefer, F.; Morokuma, K., Eds.; D. Riedel: Dordrecht, The Netherlands, 1986.
63. Soda, T.; Kitagawa, Y.; Onishi, T.; Takano, Y.; Shigeta, Y.; Nagao, H.; Yoshioka, Y.; Yamaguchi, K. Chem. Phys. Lett. 2000, 319, 223
64. Little, R. G.; Doedens, R. J. Inorg. Chem. 1973, 12, 537
65. Liebeskind, L. S.; Sharpless, K. B.; Wilson, R. D.; Ibers, J. A. J. Am. Chem. Soc. 1978, 100, 7061
66. Berman, R. S.; Kochi, J. K. Inorg. Chem. 1980, 19, 248
67. Ittel, S. D. Inorg. Chem. 1977, 16, 2589
68. Otsuka, S.; Aotani, Y.; Tatsuno, Y.; Yoshida, T. Inorg. Chem. 1976, 15, 656
69. Cenini, S.; Porta, F.; Pizzotti, M.; Lamonica, G. J. Chem. Soc., Dalton Trans. 1984, 355
70. Jones, C. J.; McCleverty, J. A.; Rothin, A. S. J. Chem. Soc., Dalton Trans. 1985, 401
71. Pizzotti, M.; Porta, F.; Cenini, S.; Demartin, F.; Masciocchi, N. J. Organomet. Chem. 1987, 330, 265
72. 2-ArNO complexes in the Cambridge Structural Database, the N-O distances range from 1.385 to 1.431 Å.
73. Wieghardt, K. Adv. Inorg. Bioinorg. Mech. 1984, 3, 213
74. Hess, C. R.; Weyhermüller, T.; Bill, E.; Wieghardt, K. Angew. Chem., Int. Ed. 2009, 48, 3703
75. Wang, L.-S.; Chen, L.; Khan, M. A.; Richter-Addo, G. B. Chem. Commun. 1996, 323
76. Godbout, N.; Sanders, L. K.; Salzmann, R.; Havlin, R. H.; Wojdelski, M.; Oldfield, E. J. Am. Chem. Soc. 1999, 121, 3829
77. Calligaris, M.; Yoshida, T.; Otsuka, S. Inorg. Chim. Acta 1974, 11, L15
78. The spin density distribution within a broken symmetry singlet is a nonphysical artifact of the broken symmetry computational method. However, such spin density plots are useful representations of the multireference character of the ground state and are therefore included here for comparison with physically meaningful spin density representations.
79. Hudson, A.; Lappert, M. F.; Lednor, P. W.; Nicholson, B. K. J. Chem. Soc., Chem. Commun. 1974, 966
80. Lee, K. K. H.; Wong, W. T. J. Chem. Soc., Dalton Trans. 1996, 3911
81. Lu, C. C.; DeBeer George, S.; Weyhermüller, T.; Bill, E.; Bothe, E.; Wieghardt, K. Angew. Chem., Int. Ed. 2008, 47, 6384
82. Weiner, W. P.; Bergman, R. G. J. Am. Chem. Soc. 1983, 105, 3922
83. O'Connor, J. M.; Bunker, K. D. Organometallics 2003, 22, 5268