IR fingerprints of U(VI) nitrate monoamides complexes: A joint experimental and theoretical study

Journal of Physical Chemistry A

Volumn 114, Issue 40, 2010, Pages 10878-10884

  Prestianni, Antonio ^a   Joubert, Laurent ^a   Chagnes, Alexandre ^a   Cote, Gerard ^a   Ohnet, Marie Noelle ^b   Rabbe, Catherine ^b   Charbonnel, Marie Christine ^b   Adamo, Carlo ^a  

^a PSL RESEARCH UNIVERSITY   (France)

^b CEA Marcoule   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DEGREE OF POLARIZATION; DFT CALCULATION; ELECTRON DENSITIES; ELECTROSTATIC INTERACTIONS; INFRARED SPECTRUM; LIGAND MOLECULES; MONOAMIDES; N ,N-DIMETHYLFORMAMIDE; POSITIVE CHARGES; STABLE COMPLEXES; THEORETICAL STUDY; TOPOLOGICAL ANALYSIS;

DIMETHYLFORMAMIDE; LIGANDS; ORGANIC SOLVENTS; SPECTROSCOPY; STRONTIUM COMPOUNDS; SULFUR COMPOUNDS; TOLUENE; TOPOLOGY; URANIUM; URANIUM COMPOUNDS;

COMPLEXATION;

EID: 77957830547     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp106467p     Document Type: Article

References (53)

1. Musikas, C.; Schulz, W. W.; Liljenzin, J. O. Solvent Extraction in Nuclear Science and Technology, in Solvent Extraction Principles and Practice; Marcel Dekker: New York, 2004; p 507.
2. Moyer, B. Ion Exchange and Solvent Extraction, A Series of Advances; CRC Press: Boca Raton, FL, 2009; Vol 19.
3. Moore, R. L. USAEC Report AECD; U.S. Army Environmental Command: 1951; p 3196.
4. Siddall, T. H. J. Phys. Chem. 1960, 64, 1863
5. Gasparini, G. M.; Grossi, G. Solv. Extr. Ion Exchange 1986, 4, 1233D
6. Musikas, C. Sep. Sci. Technol. 1988, 23, 1211
7. Ruikar, P. B.; Nagar, M. S.; Subramanian, M. S. J. Radioanal. Nucl. Chem. 1991, 2, 473
8. Gupta, K. K.; Manchanda, V. K.; Subramanian, M. S.; Singh, R. K. Sep. Sci. Technol. 2000, 35, 1603
9. Rabbe, C.; Sella, C.; Madic, C.; Godard, A. Solvent Extr. Ion Exch. 1999, 17, 87
10. Rabbe, C.; Madic, C.; Godard, A. Solv Solvent Extr. Ion Exch. 1999, 16, 1091
11. Condamines, N.; Turq, P.; Musikas, C. Solvent Extr. Ion Exch. 1993, 11, 187
12. Clement, O.; Rapko, B. M.; Hay, B. P. Coord. Chem. Rev. 1998, 170, 203
13. Hay, B. P.; Clement, O.; Sandrone, G.; Dixon, D. A. Inorg. Chem. 1998, 37, 5887
14. Zhou, X.; Krauser, J. A.; Tate, D. R.; VanBuren, A. S.; Clark, J. A.; Moody, P. R.; Liu, R. J. Phys. Chem. 1996, 100, 16822
15. Téllez Soto, C. A.; Carauta, A. N. M.; Carneiro, J. W. de M. Spectrochim. Acta, Part A 2008, 71, 1140
16. Groenewold, G. S.; Gianotto, A. K.; Cossel, K. C.; Van Stipdonk, M. J.; Moore, D. T.; Polfer, N.; Oomens, J.; de Jong, W. A.; Visscher, L. J. Am. Chem. Soc. 2006, 107, 4802
17. Becke, A. D. J. Chem. Phys. 1993, 98, 5648
18. Hariharan, P. C.; Pople, J. A. Theor. Chim. Acta 1973, 28, 213
19. Francl, M. M.; Petro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. J. Chem. Phys. 1982, 77, 3654
20. Kuechle, W.; Dolg, M.; Stoll, H.; Preuss, H. J. Chem. Phys. 1994, 100, 7535
21. Cao, X.; Dolg, M.; Stoll, H. J. Chem. Phys. 2003, 118, 487
22. Michelini, M. C.; Russo, N.; Sicilia, E. Angew. Chem., Int. Ed. 2006, 45, 1095
23. Michelini, M. C.; Russo, N.; Sicilia, E. J. Am. Chem. Soc. 2007, 129, 4229
24. Vetere, V.; Maldivi, P.; Roos, B. O.; Adamo, C. J. Phys. Chem. A 2009, 113, 1476
25. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553
26. Reed, A. E.; Weinstock, R. B.; Weinhold, F. J. Chem. Phys. 1985, 83, 735
27. Foster, J. P.; Weinhold, F. J. Am. Chem. Soc. 1980, 102, 7211
28. Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899
29. Clark, A. E.; Sonnenberg, J. L.; Hay, P. J.; Martin, R. L. J. Chem. Phys. 2004, 121, 2563
30. Boulet, B.; Joubert, L.; Cote, G.; Bouvier-Capely, C.; Cossonnet, C.; Adamo, C. Inorg. Chem. 2008, 47, 7983
31. Bader, R. W. F. Atoms in Molecules. A Quantum Theory; Oxford University Press: Oxford, U.K., 1990.
32. Bader, R. F. W.; Essén, H. J. Chem. Phys. 1984, 80, 1943
33. Tognetti, V.; Joubert, L.; Adamo, C. J. Chem. Phys. 2010, 132, 211101
34. Petit, L.; Joubert, L.; Maldivi, P.; Adamo, C. J. Am. Chem. Soc. 2006, 128, 2190
35. Tomasi, J.; Persico, M. Chem. Rev. 1994, 94, 2027
36. Barone, V.; Cossi, M. J. Phys. Chem. A 1998, 102, 1995
37. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Cammi, R.; Pomelli, C.; Ochterski, J.; Ayala, P. Y.; Morokuma, K.; Hase, W. L.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03; Gaussian, Inc.: Pittsburgh, PA, 2003.
38. Bienati, M.; Adamo, C.; Barone, V. Chem. Phys. Lett. 1999, 311, 69
39. Andersson, M. P.; Uvdal, P. J. Phys. Chem. A 2005, 109, 2937
40. Chermette, H. Coord. Chem. Rev. 1998, 178, 699
41. Wong, M. W. Chem. Phys. Lett. 1996, 256, 391
42. Scott, A. P.; Radom, L. J. Phys. Chem. 1996, 100, 16502
43. Taylor, J. C.; Mueller, M. H. Acta Crystallogr. 1965, 19, 536
44. Dalley, N. K.; Mueller, M. H.; Simonsen, S. H. Inorg. Chem. 1971, 10, 323
45. Kannan, S.; Deb, S. B.; Gamare, J. S.; Drew, M. G. B. Polyhedron 2008, 27, 2557
46. Hirata, M.; Monjyushiro, H.; Sekine, R.; Onoe, J.; Nakamatsu, V.; Mukoyama, T.; Adachi, H.; Takeuchi, K. J. Electron. Spectrosc. 1997, 83, 59
47. Hughes, K. A.; Burns, P. C. Acta Crystallogr. 2003, C59, i7
48. Topping, L. Spectrochim. Acta 1965, 21, 1743
49. Ohwada, K. Spectrochim. Acta 1979, 35A, 1283
50. Halls, M. D.; Schlegel, H. B. J. Chem. Phys. 1998, 109, 10587
51. Dewar, M. Bull. Soc. Chim. Fr. 1951, 18, C79
52. Chatt, J.; Duncanson, L. A. J. Chem. Soc. 1953, 2939
53. Bader, R. F. W.; Johnson, S.; Tang, T. H.; Popelier, P. L. A. J. Phys. Chem. 1996, 100, 15398