X-ray absorption spectra of CuII and CuIII complexes of N,N′-1,2-phenylenebis(2-mercapto-2-methylpropionamide)

European Journal of Inorganic Chemistry

Volumn , Issue 2, 2005, Pages 410-415

  Barone, Giampaolo ^a   La Manna, Gianfranco ^a   Duca, Dario ^a  

^a UNIVERSITY OF PALERMO   (Italy)

Author keywords

Ab initio molecular orbital calculations; Copper; Density functional calculations; N,S ligands; X ray absorption spectroscopy

Indexed keywords

COPPER COMPOUNDS; DENSITY FUNCTIONAL THEORY; EIGENVALUES AND EIGENFUNCTIONS; ORBITAL CALCULATIONS; X RAY ABSORPTION SPECTROSCOPY;

AB INITIO MOLECULAR ORBITAL CALCULATION; DENSITY-FUNCTIONAL CALCULATIONS; EXAFS; N,S LIGAND; S LIGANDS; SOLID PHASIS; SOLID-PHASE; SPECTRA'S; X-RAY ABSORPTION SPECTROSCOPY; X-RAY ABSORPTION SPECTRUM;

MOLECULAR ORBITALS;

1,2 PHENYLENEBIS(2 MERCAPTO 2 METHYLPROPIONAMIDE); COPPER; COPPER COMPLEX; PROPIONAMIDE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; MOLECULAR STABILITY; SOLID; SPECTROSCOPY; X RAY ANALYSIS;

EID: 13944254733     PISSN: 14341948     EISSN: None     Source Type: Journal    
DOI: 10.1002/ejic.200400495     Document Type: Article

References (27)

1. J. Hanss, A. Beckmann, H.-J. Krüger, Eur. J. Inorg. Chem. 1999, 163-172.
2. J. Hanss, H.-J. Krüger, Angew. Chem. Int. Ed. Engl. 1996, 35, 2827-2830.
3. M. C. Machczynski, H. B. Gray, J. H. Richards, J. Inorg. Biochem. 2002, 88, 375-380.
4. B. G. Malmström, P. Wittung-Stafshede, Coord. Chem. Rev. 1999, 185-186, 127-140.
5. R. K. Szilagyi, E. I. Solomon, Curr. Opin. Chem. Biol. 2002, 6, 250-258.
6. J. E. Penner-Hahn, Coord. Chem. Rev. 1999, 190-192, 1101-1123.
7. T. Glaser, T. Beissel, E. Bill, T. Weyhermüller, V. Schünemann, W. Meyer-Klaucke, A. X. Trautwein, K. Wieghardt, J. Am. Chem. Soc. 1999, 121, 2193-2208.
8. J. L. Du Bois, P. Mukherjee, T. D. P. Stack, B. Hedman, E. I. Solomon, K. O. Hodgson, J. Am. Chem. Soc. 2000, 122, 5775-5787.
9. M. Gnida, R. Ferner, L. Gremer, O. Meyer, W. Meyer-Klaucke, Biochemistry 2003, 42, 222-230.
10. L.-S. Kau, D. J. Spira-Solomon, J. E. Penner-Hahn, K. O. Hodgson, E. I. Solomon, J. Am. Chem. Soc. 1987, 109, 6433-6442.
11. A. L. Roe, D. J. Schneider, R. J. Mayer, J. W. Pyrz, J. Widom, L. Que Jr., J. Am. Chem. Soc. 1984, 106, 1676-1681.
12. T. E. Westre, P. Kennepohl, J. G. De Witt, B. Hedman, K. O. Hodgson, E. I. Solomon, J. Am. Chem. Soc. 1997, 119, 6297-6314.
13. M. Benfatto, S. Della Longa, J. Synchrotron Rad. 2001, 8, 1087-1094.
14. J. J. Rehr, R. C. Albers, Rev. Mod Phys. 2000, 72, 621-654.
15. A. Mijovilovich, W. Meyer-Klaucke, J. Synchrotron Rad. 2003, 10, 64-68.
16. C. Krebs, T. Glaser, E. Bill, T. Weyhermüller, W. Meyer-Klaucke, K. Wieghardt, Angew. Chem. Int. Ed. 1999, 38, 359-361.
17. F. A. Cotton, Chemical Applications of Group Theory, 3rd ed., Wiley-Interscience, New York, 1990.
18. M. Orchin, H. H. Jaffé, Symmetry, Orbitals and Spectra (S. O. S), Wiley-Interscience, New York, 1971.
19. D. C. Haris, M. D. Bertolucci, Symmetry and Spectroscopy, Dover Publication, New York, 1989.
20. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, J. A. Pople, GAUSSIAN 98, Revision A.8, Gaussian, Inc., Pittsburgh PA, 1998.
21. K. Pierloot, J. O. A. De Kerpel, U. Ryde, B. O. Roos, J. Am. Chem. Soc. 1997, 119, 218-226.
22. N. Binsted, R. W. Strange, S. S. Hasnain, Biochemistry 1992, 31, 12117-12125.
23. A. D. Becke, J. Chem. Phys. 1993, 98, 5648-5652.
24. I. N. Levine, Quantum Chemistry, 5th ed., Prentice-Hall, Upper Saddle River, NJ, 2000, p. 580.
25. W. H. Press, S. A. Teukolsky, W. T. Vetterling, B. P. Flammery, Numerical Recipes, Cambridge University Press, Cambridge, 1992.
26. R. A. Scott, Methods Enzymol. 1985, 111, 414-459.
27. H. F. Nolting, C. Hermes, EMBL Hamburg, 1992.