A monomeric nickel-dioxygen adduct derived from a nickel(I) complex and O2

Inorganic Chemistry

Volumn 43, Issue 11, 2004, Pages 3324-3326

  Fujita, Koyu ^a   Schenker, Ralph ^b   Gu, Weiwei ^c   Brunold, Thomas C ^b   Cramer, Stephen P ^c   Riordan, Charles G ^a  

^a UNIVERSITY OF DELAWARE   (United States)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COORDINATION COMPOUND; DIMER; NICKEL; NICKEL COMPLEX; NITRATE; NITRIC OXIDE; OXYGEN; PHOSPHORUS DERIVATIVE;

ARTICLE; CHEMICAL BOND; CHEMICAL REACTION; COLOR; COMPLEX FORMATION; COVALENT BOND; DENSITY FUNCTIONAL THEORY; ELECTRON; ELECTRON SPIN RESONANCE; GEOMETRY; OXIDATION; SPECTROSCOPY; STOICHIOMETRY;

EID: 2442677836     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic049876n     Document Type: Article

References (39)

1. (a) Kimura, E.; Sakonaka, A.; Machida, R. J. Am. Chem. Soc. 1982, 104, 4255-4257.
2. (b) Kimura, E.; Machida, R. J. Chem. Soc., Chem. Commun. 1984, 499-500.
3. (c) Kushi, Y.; Machida, R.; Kimura, E. J. Chem. Soc., Chem. Commun. 1985, 216-218.
4. (a) Chen, D.; Martell, A. E. J. Am. Chem. Soc. 1990, 112, 9411-9412.
5. (b) Cheng, C.-C.; Gulia, J.; Rokita, S. E.; Burrows, C. J. J. Mol. Catal. A. 1996, 113, 379-391. Berkessel, A.; Bats, J. W.; Schwarz, C. Angew. Chem., Int. Ed. Engl. 1990, 29, 106-108.
6. (b) Cheng, C.-C.; Gulia, J.; Rokita, S. E.; Burrows, C. J. J. Mol. Catal. A. 1996, 113, 379-391. Berkessel, A.; Bats, J. W.; Schwarz, C. Angew. Chem., Int. Ed. Engl. 1990, 29, 106-108.
7. (a) Muller, J. G.; Hickerson, R. P.; Perez, R. J.; Burrows, C. J. J. Am. Chem. Soc. 1997, 119, 1501-1506.
8. (b) Burrows, C. J.; Perez, R. J.; Muller, J. G.; Rokita, S. E. Pure Appl. Chem. 1998, 70, 275-278.
9. 2), accessed via the Ni(0)/Ni(II) couple: Otsuka, S. ; Nakamura, A.; Tatsuno, Y. J. Am. Chem. Soc. 1969, 91, 6994-6999.
10. tBu], phenyltris((tert-butylthio)methyl)borate. Mandimutsira, B. S.; Yamarik, J. L.; Brunold, T. C.; Gu, W.; Cramer, S. P.; Riordan, C. G. J. Am. Chem. Soc. 2001, 123, 9194-9195.
11. Schenker, R.; Mandimutsira, B. S.; Riordan, C. G.; Brunold, T. C. J. Am. Chem. Soc. 2002, 124, 13842-13855.
12. (a) Hikichi, S.; Yoshizawa, M.; Sasakura, Y.; Akita, M.; Moro-oka, Y. J. Am. Chem. Soc. 1998, 120, 10567-10568.
13. (b) Itoh, S.; Bandoh, H.; Nagatomo, S.; Kitagawa, T.; Fukuzumi, S. J. Am. Chem. Soc. 1999, 121, 8945-8946.
14. (c) Shiren, K.; Ogo, S.; Fujinami, S.; Hayashi, H.; Suzuki, M.; Uehara, A.; Watanabe, Y.; Moro-oka, Y. J. Am. Chem. Soc. 2000, 122, 254-262.
15. (d) Hikichi, S.; Yoshizawa, M.; Sasakura, Y.; Komatsuzaki, H.; Moro-oka, Y.; Akita, M. Chem. Eur. J. 2001, 7, 5011-5028.
16. (e) Itoh, S.; Bandoh, H.; Nakagawa, M.; Nagatomo, S.; Kitagawa, T.; Karlin, K. D.; Fukuzumi, S. J. Am. Chem. Soc. 2001, 123, 11168-11178.
17. Ad], phenyltris(1-adamantylthio)methyl)borate. Fujita, K.; Rheingold, A. L.; Riordan, C. G. J. Chem. Soc., Dalton Trans. 2003, 2004-2008.
18. See Supporting Information for full spectroscopic and computational details.
19. Egan, J. W., Jr.; Haggerty, B. S.; Rheingold, A. L.; Sendlinger, S. C.; Theopold, K. H. J. Am. Chem. Soc. 1990, 112, 2445-2446.
20. Fujisawa, K.; Tanaka, M.; Moro-oka, Y.; Kitajima, N. J. Am. Chem. Soc. 1994, 116, 12079-12080.
21. Spencer, D. J. E.; Aboelella, N. W.; Reynolds, A. M.; Holland, P. L.; Tolman, W. B. J. Am. Chem. Soc. 2002, 124, 2108-2109.
22. 2): UV-vis (toluene) 310 nm, 390 nm, 450 nm; EPR (toluene, 20 K) g values 2.24, 2.20, 2.02.
23. Que, L.; Tolman, W. B. Angew. Chem., Int. Ed. 2002, 41, 1114-1137.
24. (a) Kitajima, N.; Komatsuzaki, H.; Hikichi, S.; Osawa, M.; Morooka, Y. J. Am. Chem. Soc. 1994, 116, 11596-11597.
25. (b) Cramer, C. J.; Tolman, W. B.; Theopold, K. H.; Rheingold, A. L. Proc. Natl. Acad. Sci. U.S.A. 2003, 100, 3635-3640.
26. (a) Kurtz, D. M.; Shriver, D. F.; Klotz, I. M. J. Am. Chem. Soc. 1976, 98, 5033-5035.
27. (b) Pate, J. E.; Cruse, R. W.; Karlin, K. D.; Solomon, E. I. J. Am. Chem. Soc. 1987, 109, 2624-2630.
28. (c) Chaudhuri, P.; Hess, M.; Weyhermüller, T.; Wieghardt, K. Angew. Chem., Int. Ed. 1999, 38, 1095-1098.
29. The minimized energy for the side-on complex is 10.0 kcal/mol lower than that for the end-on complex.
30. Neese, F.; Max Planck Institute for Radiation Chemistry, Mülheim/ Ruhr, Germany; neese@mpi-muelheim.mpg.de. For information regarding the accuracy of g values computed by the INDO/S-CI method, see: (a) Neese, F. Curr. Opin. Chem. Biol. 2003, 7, 125-135.
31. Neese, F.; Max Planck Institute for Radiation Chemistry, Mülheim/ Ruhr, Germany; neese@mpi-muelheim.mpg.de. For information regarding the accuracy of g values computed by the INDO/S-CI method, see: (a) Neese, F. Curr. Opin. Chem. Biol. 2003, 7, 125-135.
32. (b) Neese, F.; Solomon, E. I. Inorg. Chem. 1998, 37, 6568-6582.
33. (c) Neese, F.; Zaleski, J. M.; Loeb-Zaleski, K. E.; Solomon, E. I. J. Am. Chem. Soc. 2000, 122, 11703-11724.
34. Gubelmann, M. H.; Williams, A. F. Struct. Bonding (Berlin) 1983, 55, 1.
35. Alternatively, the computed O-O distance of 1.29 Å for the end-on model of 2 indicates that this isomer has predominantly Ni(II)-superoxo character, consistent with the DFT calculated spin densities for that model (Table 3S).
36. Zhang, Y.; Pavlosky, M. A.; Brown, C. A.; Westre, T. E.; Hedman, B.; Hodgson, K. O.; Solomon, E. I. J. Am. Chem. Soc. 1992, 114, 9189-9191. Brown, C. A.; Pavlosky, M. A.; Westre, T. E.; Zhang, Y.; Hedman, B.; Hodgson, K. O.; Solomon, E. I. J. Am. Chem. Soc. 1995, 117, 715-732.
37. Zhang, Y.; Pavlosky, M. A.; Brown, C. A.; Westre, T. E.; Hedman, B.; Hodgson, K. O.; Solomon, E. I. J. Am. Chem. Soc. 1992, 114, 9189-9191. Brown, C. A.; Pavlosky, M. A.; Westre, T. E.; Zhang, Y.; Hedman, B.; Hodgson, K. O.; Solomon, E. I. J. Am. Chem. Soc. 1995, 117, 715-732.
38. Otsuka, S.; Nakamura, A.; Tatsuno, Y.; Miki, M. J. Am. Chem. Soc. 1972, 94, 3761-3767.
39. 2CuL′ complexes: Aboelella, N. W.; Lewis, E. A.; Reynolds, A. M.; Brennessel, W. W.; Cramer, C. J.; Tolman, W. B. J. Am. Chem. Soc. 2002, 124, 10660-10661.