Structures and vibrational frequencies of gas phase and solvated uranyl complexes UO2Ln2-n*a(L=F-, CO32-, NO3-; n=0-6, a=l, 2)

Wuli Huaxue Xuebao/ Acta Physico - Chimica Sinica

Volumn 25, Issue 4, 2009, Pages 655-660

  Gu, Jia Fang ^a   Lu, Chun Hai ^b   Chen, Wen Kai ^a   Xu, Ying ^c   Zheng, Jin De ^a  

^a FUZHOU UNIVERSITY   (China)

^b NATIONAL KEY LABORATORY FOR SURFACE PHYSICS AND CHEMISTRY   (China)

^c FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

Author keywords

Density functional theory; Relative effective core potential; Solution effect; Uranyl cation; Vibration frequency

Indexed keywords

EID: 65349147273     PISSN: 10006818     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (36)

1. Tang, R. H.; Liu, Y. F. Actinide series and transactinide element. Beijing: Science Press, 1998: 66-78, 169-176
2. Hu, S. W.; Wang, X. Y.; Chu, T. W.; Liu, X. Q. J. Phys. Chem. A, 2008, 112: 8877
3. Garrison, S. L.; Becnel, J. M. J. Phys. Chem. A, 2008, 112: 5453
4. Privalov, T.; Schimmelpfennig, B.; Wahlgren, U.; Grenthe, I. J. Phys. Chem. A, 2002, 106: 11277
5. Mockba, A. H. Chemistry of actinide complexes. Trans. Su, H.; Qi, T. Beijing: Atomic Energy Press, 1984: 23-52
6. Chen, X. S.; Kang, H. J.; Zhang, D.; Li, Q. W. Chemistry Research and Application, 2007, 10: 1118
7. Pyykko, P.; Li, J.; Runeberg, N. J. Phys. Chem., 1994, 98: 4809
8. Gaillard, C.; Chaumont, A.; Billard, I.; Hennig, C.; Quadi, A.; Wipff, G. Inorg. Chem., 2007, 46: 4815
9. Hernandez, M. G.; Willnauer, C.; Kruger, S.; Moskaleva, L. V.; Rosch, N. Inorg. Chem., 2006, 45: 1356
10. Wang, Q.; Pitzer, R. M. J. Phys. Chem. A, 2001, 105: 8370
11. Vallet, V.; Wahlgren, U.; Szabo, Z.; Grenthe, I. Inorg. Chem., 2002, 41: 5626
12. Szabo, Z.; Glaser, J.; Grenthe, I. Inorg. Chem., 1996, 35: 2036
13. Shamov, G. A.; Schreckenbach, G. J. Am. Chem. Soc., 2008, 130: 13735
14. Toraishi, T.; Privalov, T.; Schimmelpfennig, B.; Wahlgren, U.; Grenthe, I. J. Phys. Chem. A, 2003, 107: 9456
15. Clark, D. L.; Hobart, D. E.; Neu, M. P. Chem. Rev., 1995, 95: 25
16. de Jong, W. A.; Apra, E.; Windus, T. L.; Nichols, J. A.; Harrison, R. J.; Gutowski, K. E.; Dixon, D. A. J. Phys. Chem. A, 2005, 109: 11568
17. Hemmingsen, L.; Amara, P.; Ansoborlo, E.; Field, M. J. J. Phys. Chem. A, 2000, 104: 4095
18. Majumdar, D.; Roszak, S.; Balasubramanian, K.; Nitsche, H. Chem. Phys. Lett., 2003, 372: 232
19. Trung, C. N.; Begun, G. M.; Palmer, D. A. Inorg. Chem., 1992, 31: 5280
20. Madic, C.; Hobart, D. E.; Begun, G. M. Inorg. Chem., 1983, 22: 1494
21. Aaberg, M.; Ferri, D.; Glaser, J.; Grenthe, I. Inorg. Chem., 1983, 22: 3981
22. Banyai, I.; Glaser, J.; Micskei, K.; Toth, I.; Zekany, I. Inorg. Chem., 1995, 34: 3785
23. Craw, J. S.; Vincent, M. A.; Hillier, I. H.; Wallwork, A. L. J. Phys. Chem., 1995, 99: 10181
24. Becke, A. Phys. Rev. A, 1988, 37: 3098
25. Bardin, N.; Rubini, P.; Madic, C. Radiochim. Acta, 1998, 83: 189
26. Hay P. J. J. Chem. Phys., 1983, 79: 5469
27. Liu, W. J.; Li, L. M. Chemistry Online, 1994, 11: 1
28. Kahn, L. R.; Hay, P. J.; Cowan, R. D. J. Chem. Phys., 1978, 68: 2386
29. Tomasi, J.; Persico, M. Chem. Rev., 1994, 94: 2027
30. Barone, V.; Cossi, M.; Tomasi, J. J. Chem. Phys., 1997, 107: 3210
31. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; et al. Gaussian 03, Revision D.01. Wallingford CT: Gaussian, Inc., 2004
32. Henry, R. H. Inorg. Chem., 1963, 2: 492
33. Chourou, S.; Bois, C.; Dao, N. Q. Compr. Rend. C, 1976, 282: 49
34. Atoji, M; McDermott, M. J. Acta Crysrallogr. B, 1970, 26: 1540
35. McGlynn, S. P.; Smith, J. K.; Neely, W. C. J. Chem. Phys., 1961, 35: 105
36. Pearson, R. G.; Songstad, J. J. Am. Chem. Soc., 1967, 899: 1827