Vibrational spectra of eight-coordinate niobium and tantalum complexes with peroxo ligands: A theoretical simulation

European Journal of Inorganic Chemistry

Volumn , Issue 20, 2005, Pages 4118-4123

  Bayot, Daisy ^a   Devillers, Michel ^a   Peeters, Daniel ^a  

^a UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

Author keywords

Density functional calculations; IR spectroscopy; Niobium; Peroxo ligands; Raman spectroscopy; Tantalum

Indexed keywords

INFRARED SPECTROSCOPY; LIGANDS; NIOBIUM COMPOUNDS; RAMAN SPECTROSCOPY; TANTALUM COMPOUNDS;

DENSITY-FUNCTIONAL CALCULATIONS; IR AND RAMAN SPECTROSCOPY; IR-SPECTROSCOPY; NIOBIUM COMPLEXES; PEROXO LIGANDS; PEROXOCOMPLEXES; STOICHIOMETRIC MODELS; TANTALUM COMPLEXES; THEORETICAL SIMULATION; THEORETICAL STUDY;

DENSITY FUNCTIONAL THEORY;

EID: 27444444407     PISSN: 14341948     EISSN: None     Source Type: Journal    
DOI: 10.1002/ejic.200500428     Document Type: Article

References (29)

1. V. Conte, F. DiFuria, S. Moro, J. Phys. Org. Chem. 1996, 9, 329-336.
2. K. A. Jorgensen, Chem. Rev. 1989, 89, 431-458.
3. R. Noyori, M. Aoki, K. Sato, Chem. Commun. 2003, 16, 1977-1986.
4. R. A. Sheldon, Top. Curr. Chem. 1993, 164, 21-43.
5. R. A. Sheldon, I. W. C. E. Arenas, A. Dijksman, Catal. Today 2000, 57, 157-166.
6. D. C. Crans, J. J. Smee, E. Gaidamauskas, L. Q. Yang, Chem. Rev. 2004, 104, 849-902.
7. K. H. Thompson, J. H. McNeill, C. Orvig, Chem. Rev. 1999, 99, 2561-2571.
8. H. Ichinose, M. Taira, S. Furuta, H. Katsuki, J. Am. Ceram. Soc. 2003, 86, 1605-1608.
9. V. T. Kalinnikov, O. G. Gromov, G. B. Kunshina, A. P. Kuz'min, E. P. Lokshin, V. I. Ivanenko, Inorg. Mater. 2004, 40, 411-414.
10. Y. Narendar, G. L. Messing, Chem. Mater. 1997, 9, 580-587.
11. N. Uekawa, T. Kudo, F. Mori, Y. J. Wu, K. Kakegawa, J. Colloid Interface Sci. 2003, 264, 378-384.
12. Y. Yoshikawa, K. Uchino, J. Am. Ceram. Soc. 1996, 79, 2417-2421.
13. Y. F. Gao, Y. Masuda, H. Ohta, K. Koumoto, Chem. Mater. 2004, 16, 2615-2622.
14. D. Bayot, B. Tinant, M. Devillers, Catal. Today 2003, 78, 439-447.
15. D. Bayot, M. Devillers, Chem. Mater. 2004, 16, 5401-5407.
16. D. Bayot, B. Tinant, B. Mathieu, J. P. Declercq, M. Devillers, Eur. J. Inorg. Chem. 2003, 737-743.
17. D. Bayot, B. Tinant, M. Devillers, Inorg. Chem. 2004, 43, 5999-6005.
18. D. Bayot, B. Tinant, M. Devillers, Inorg. Chem. 2005, 44, 1554-1562.
19. G. Mathern, R. Weiss, Acta Crystallogr, Sect. B 1971, 27, 1598-1609.
20. G. Mathern, R. Weiss, Acta Crystallogr, Sect. B 1971, 27, 1572-1581.
21. G. Mathern, R. Weiss, Acta Crystallogr, Sect. B 1971, 27, 1582-1597.
22. R. N. Shchelokov, E. N. Traggeim, M. A. Michnik, K. I. Petrov, Russ. J. Inorg. Chem. 1972, 17, 1270-1272.
23. A. C. Dengel, W. P. Griffith, Polyhedron 1989, 8, 1371-1377.
24. K. I. Selezneva, L. A. Nisel'son, Russ. J. Inorg. Chem. 1968, 13, 45-47.
25. R. N. Shchelokov, E. N. Traggeim, M. A. Michnik, Russ. J. Inorg. Chem. 1971, 16, 211-213.
26. G. Haxhillazi, H. Haeuseler, J. Solid State Chem. 2004, 177, 3045-3051.
27. C. Djordjevic, N. Vuletic, Inorg. Chem. 1968, 7, 1864-1868.
28. N. Vuletic, C. Djordjevic, J. Less-Common Met. 1976, 45, 85-89.
29. 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, C. Gonzalez, 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.7, Gaussian, Inc., Pittsburgh PA, 1998.