Structural, electronic, and theoretical description of a series of cobalt clathrochelate complexes in the Co(III), Co(II) and Co(I) oxidation states

Journal of Physical Chemistry A

Volumn 115, Issue 5, 2011, Pages 911-922

  Nguyen, Minh Thu Dinh ^a   Charlot, Marie France ^a   Aukauloo, Ally ^a,b  

^a UNIVERSITÉ PARIS SUD   (France)

^b SERVICE DE CHIMIE BIOORGANIQUE ET DE MARQUAGE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CAS-SCF; CATALYTIC ACTIVITY; COORDINATION SPHERE; EPR SPECTROSCOPY; HIGH-SPIN COMPLEXES; INTRIGUING QUESTIONS; LOW-SPIN COMPLEXES; MECHANISTIC PATHWAYS; ONE-ELECTRON REDUCTIONS; OVERPOTENTIAL; OXIDATION STATE; PARTIAL REDUCTION; SPECTROSCOPIC DATA; UV-VISIBLE;

CATALYST ACTIVITY; COBALT; ELECTROCHEMICAL PROPERTIES; ELECTROCHEMISTRY; ELECTRON SPIN RESONANCE SPECTROSCOPY; LIGANDS; METAL COMPLEXES; METAL IONS; OXIDATION; REDUCTION; SPHERES;

COBALT COMPOUNDS;

COBALT; COORDINATION COMPOUND; LIGAND;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; ELECTROCHEMISTRY; ELECTRONICS; METHODOLOGY; OXIDATION REDUCTION REACTION; SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

CATALYSIS; COBALT; COORDINATION COMPLEXES; CRYSTALLOGRAPHY, X-RAY; ELECTROCHEMISTRY; ELECTRONICS; LIGANDS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; OXIDATION-REDUCTION; SPECTRUM ANALYSIS;

EID: 79851485241     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1103643     Document Type: Article

References (24)

1. Chaudhuri, P.; Hess, M.; Muller, J.; Hildenbrand, K.; Bill, E.; Weyhermuller, T.; Wieghardt, K. J. Am. Chem. Soc. 1999, 121, 9599.
2. Grützmacher, H. Angew. Chem., Int. Ed. 2008, 47, 1814.
3. Martin, L. L.; Martin, R. L.; Murray, K. S.; Sargeson, A. M. Inorg. Chem. 1990, 29, 1387.
4. Sargeson, A. M. Coord. Chem. Rev. 1996, 151, 89.
5. Hupp, J. T.; Liu, H. Y.; Lay, P. A.; Petri, W. H. F.; Sargeson, A. M.; Weaver, M. J. J. Electroanal. Chem. 1984, 163, 371.
6. Hendry, P.; Moghaddas, S.; Dixon, N. E.; Bygott, A.; Gene, R. J.; Qin, C.; Sargeson, A. M. J. Inorg. Biochem. 1995, 59, 164.
7. Symons, M. C. R.; Taiwo, T.; Sargeson, A. M.; Ali, M. M.; Tabl, A. S. Inorg. Chim. Acta 1996, 241, 5.
8. Lay, P. A.; Mau, A. W. H.; Sasse, W. H. F.; Creaser, I. I.; Gahan, L. R.; Sargeson, A. M. Inorg. Chem. 1983, 22, 2347.
9. Bond, A. M.; Hambley, T. W.; Snow, M. R. Inorg. Chem. 1985, 24, 1920.
10. Szczepaniak, L. S.; Sargeson, A.; Creasei, I. I.; Geue, R. J.; Tweedle, M.; Bryant, R. G. Bioconjugate Chem. 1992, 3, 27.
11. Pantani, O.; Naskar, S.; Guillot, R.; Millet, P.; Anxolabehere-Mallart, E.; Aukauloo, A. Angew. Chem., Int. Ed. 2008, 47, 9948.
12. Zhang, P.; Wang, M.; Dong, J. F.; Li, X. Q.; Wang, F.; Wu, L. Z.; Sun, L. C. J. Phys. Chem. C 2010, 114, 15868.
13. Liu, W.; Huang, W.; Pink, M.; Lee, D. J. Am. Chem. Soc. 2010, 132, 11844.
14. Voloshin, Y. Z.; Varzatskii, O. A.; Belov, A. S.; Vologzhanina, A. V.; Starikova, Z. A.; Dolganov, A. V.; Novikov, V. V. Inorg. Chim. Acta 2009, 362, 5144.
15. Voloshin, Y. Z.; Varzatskii, O. A.; Vorontsov, I. I.; Antipin, M. Y. Angew. Chem., Int. Ed. 2005, 44, 3400.
16. Zakrzewski, G. A.; Ghilardi, C. A.; Lingafelter, E. C. J. Am. Chem. Soc. 1971, 93, 4411.
17. Echeverria, J.; Cremades, E.; Amoroso, A. J.; Alvarez, S. Chem. Commun. 2009, 4242.
18. Bill, E.; Bothe, E.; Chaudhuri, P.; Chlopek, K.; Herebian, D.; Kokatam, S.; Ray, K.; Weyhermüller, T.; Neese, F.; Wieghardt, K. Chem.-Eur. J. 2005, 11, 204.
19. Baik, M.-H.; Friesner, R. A. J. Phys. Chem. A 2002, 106, 7407.
20. Neese, F. ORCA, An ab Initio, DFT and Semiempirical Electronic Structure Package, version 2.6; Max-Planck-Institut für Bioanorganische Chemie: Mühlheim an der Ruhr, Germany, 2007.
21. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
22. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B: Condens. Matter 1988, 37, 785.
23. Schaefer, A.; Horn, H.; Ahlrichs, R. J. Chem. Phys. 1992, 97, 2571.
24. Klamt, A.; Schüümann, G. J. Chem. Soc., Perkin Trans. 2 1993, 799.