Unusual electronic structure of first row transition metal complexes featuring redox-active dipyrromethane ligands

Journal of the American Chemical Society

Volumn 131, Issue 40, 2009, Pages 14374-14380

  King, Evan R ^a   Betley, Theodore A ^a  

^a HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARYLATIONS; CHEMICAL OXIDATION; D ORBITALS; DIFFERENTIAL PULSE VOLTAMMETRY; DIVALENT METALS; ELECTRON OXIDATION; FIRST ROW TRANSITION METALS; MAGNETIC CHARACTERIZATION; ORBITALS; OXIDATION PRODUCTS; PSEUDOTETRAHEDRAL; PYRROLIC NITROGEN; REDOX CHEMISTRY; REDOX-ACTIVE; SPIN STATE; SQUARE PLANAR GEOMETRY; TWO-ELECTRON OXIDATION; X-RAY DIFFRACTION STUDIES;

CHEMICAL BONDS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MANGANESE; MANGANESE COMPOUNDS; METAL COMPLEXES; METALS; MOLECULAR ORBITALS; OXIDATION; SPIN DYNAMICS; ZINC;

LIGANDS;

1,9 DIMESITYL 5,5 DIMETHYLDIPYRROMETHANE; COBALT; FERROUS ION; LIGAND; MANGANESE; METAL COMPLEX; METHANE; NICKEL; UNCLASSIFIED DRUG; ZINC;

ARTICLE; COMPLEX FORMATION; OXIDATION REDUCTION REACTION;

EID: 70350037690     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja903997a     Document Type: Article

References (34)

1. Chaudhuri, P.; Verani, C. N.; Bill, E.; Bothe, E.; Weyhermüller, T.; Wieghardt, K. J. Am. Chem. Soc. 2001, 123, 2213-2223.
2. Masui, H.; Lever, A. B. P.; Auburn, P. R. Inorg. Chem. 1991, 30, 2402-2410.
3. (a) Schrauzer, G. N.; Mayweg, V. J. Am. Chem. Soc. 1962, 84, 3221.
4. (b) Stiefel, E. I.; Waters, J. H.; Billig, E.; Gray, H. B. J. Am. Chem. Soc. 1965, 87, 3016-3017.
5. (a) Hockertz, J.; Steenken, S.; Wieghardt, K.; Hildebrandt, P. J. Am. Chem. Soc. 1993, 115, 11222-11230.
6. (b) Chaudhuri, P.; Hess, M.; Muller, J.; Hildenbrand, K.; Bill, E.; Weyhermuller, T.; Wieghardt, K. J. Am. Chem. Soc. 1999, 121, 9599-9610.
7. Kadish, K. M., Smith, K. M., Guilard, R., Eds. The Porphyrin Handbook; Academic Press: San Diego, CA, 2003; Vols. 15-20.
8. (a) Bouwkamp, M. W.; Bowman, A. C.; Lobkovsky, E.; Chirik, P. J. J. Am. Chem. Soc. 2006, 128, 13340-13341.
9. (b) Bart, S. C.; Chlopek, K.; Bill, E.; Bouwkamp, M. W.; Lobkovsky, E.; Neese, F.; Wieghardt, K. J. Am. Chem. Soc. 2006, 128, 13901-13912.
10. (c) Bart, S. C.; Lobkovsky, E.; Bill, E.; Wieghardt, K.; Chirik, P. J. Inorg. Chem. 2007, 46, 7055-7063.
11. (a) Herebian, D.; Bothe, E.; Bill, E.; Weyhermuller, T.; Wieghardt, K. J. Am. Chem. Soc. 2001, 123, 10012-10023.
12. (b) Blackmore, K. J.; Ziller, J. W.; Heyduk, A. F. Inorg. Chem. 2005, 44, 5559-5561.
13. (c) Haneline, M. R.; Heyduk, A. F. J. Am. Chem. Soc. 2006, 128, 8410-8411.
14. (d) Blackmore, K. J.; Lal, N.; Ziller, J. W.; Heyduk, A. F. J. Am. Chem. Soc. 2008, 130, 2728-2730.
15. (a) Gunanathan, C.; Milstein, D. Angew. Chem., Int. Ed. 2008, 47, 8661-8664.
16. (b) Gunanathan, C.; Shimon, L. J. W.; Milstein, D. J. Am. Chem. Soc. 2009, 131, 3146-3147.
17. (c) Kohl, S. W.; Weiner, L.; Schwartsburd, L.; Konstantinovski, L.; Shimon, L. J. W.; Ben-David, Y.; Iron, M. A.; Milstein, D. Science 2009, 324, 74-77.
18. (a) Jones, D. J.; Gibson, V. C. Heterocycles 2006, 68, 1121-1127.
19. (b) Swartz, D. L.; Odom, A. L. Organometallics 2006, 25, 6125-6133.
20. (a) Novak, A.; Blake, A. J.; Wilson, C.; Love, J. B. Chem. Commun. 2002, 2796-2797.
21. (b) Love, J. B.; Salyer, P. A.; Bailey, A. S.; Wilson, C.; Blake, A. J.; Davies, E. S.; Evans, D. J. Chem. Commun. 2003, 1390-1391.
22. King, E. R.; Betley, T. A. Inorg. Chem. 2009, 48, 2361-2363.
23. (a) Floriani, C.; Floriani-Moro, R. In The Porphyrin Handbook; Kadish, K. M., Smith, K. M., Guilard, R., Eds.;Academic Press: San Diego, CA, 2000; Vol.3, pp 405-420.
24. (b) Bachmann, J.; Nocera, D. G. J. Am. Chem. Soc. 2004, 126, 2829-2837.
25. (c) Bachmann, J.; Nocera, D. G. J. Am. Chem. Soc. 2005, 127, 4730-4743.
26. Storr, T.; Verma, P.; Pratt, R. C.; Wasinger, E. C.; Shimazaki, Y.; Stack, T. D. P. J. Am. Chem. Soc. 2008, 130, 15448-15459.
27. Bill, E. julX: Simulation of Molecular Magnetic Data; available from http://www.mpi-muelheim.mpg.de/bac/logins/bill/julX-en.php, 2008.
28. See Supporting Information for further physical characterization data.
29. A similar modeling scheme was employed to model the EPR spectrum for a series of isoelectronic Cr(III) complexes. Pedersen, E.; Toftlund, H. Inorg. Chem. 1974, 13, 1603-1612.
30. Long, G. J.; Whitney, D. L.; Kennedy, J. E. Inorg. Chem. 1971, 10, 1406-1410.
31. (a) Frisch, M. J.; et al. Gaussian 03, Revision E.01; Gaussian, Inc.: Wallingford CT, 2004.
32. (b) Weigend, F.; Ahlrichs, R. Phys. Chem. Chem. Phys. 2005, 7, 3297-3305.
33. (a) Pilbrow, J. R. Transition Ion Electron Paramagnetic Resonance; Clarendon Press: Oxford, 1990.
34. (b) Aasa, R.; Vänngård, T. J. Magn. Reson. 1975, 19, 308-315.