Observation of the inverse trans influence (ITI) in a uranium(V) imide coordination complex: An experimental study and theoretical evaluation

Inorganic Chemistry

Volumn 51, Issue 11, 2012, Pages 6190-6199

  Lam, Oanh P ^a   Franke, Sebastian M ^a   Nakai, Hidetaka ^b   Heinemann, Frank W ^a   Hieringer, Wolfgang ^a   Meyer, Karsten ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AZIDE; COORDINATION COMPOUND; IMIDE; URANIUM;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

AZIDES; COORDINATION COMPLEXES; IMIDES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; URANIUM;

EID: 84861933273     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic300273d     Document Type: Article

References (68)

1. Cenini, S.; Gallo, E.; Caselli, A.; Ragaini, F.; Fantauzzi, S.; Piangiolino, C. Coord. Chem. Rev. 2006, 250, 1234-1253
2. Ren, W.; Zi, G.; Walter, M. D. Organometallics 2012, 31, 672-679
3. Dehnicke, K.; Strähle, J. Angew. Chem., Int. Ed. 1992, 31, 955-978
4. Tornieporth-Oetting, I. C.; Klapötke, T. M. Angew. Chem., Int. Ed. 1995, 34, 511-520
5. Korobkov, I.; Gambarotta, S.; Yap, G. P. A. Angew. Chem., Int. Ed. 2002, 41, 3433-3436
6. Evans, W. J.; Kozimor, S. A.; Ziller, J. W. Science 2005, 309, 1835-1838
7. Evans, W. J.; Miller, K. A.; Ziller, J. W.; Greaves, J. Inorg. Chem. 2007, 46, 8008-8018
8. Nocton, G.; Pécaut, J.; Mazzanti, M. Angew. Chem., Int. Ed. 2008, 47, 3040-3042
9. Thetford, R.; Mignanelli, M. J. Nucl. Mater. 2003, 320, 44-53
10. Fox, A. R.; Cummins, C. C. J. Am. Chem. Soc. 2009, 131, 5716-5717
11. Fox, A. R.; Arnold, P. L.; Cummins, C. C. J. Am. Chem. Soc. 2010, 132, 3250-3251
12. Thomson, R. K.; Cantat, T.; Scott, B. L.; Morris, D. E.; Batista, E. R.; Kiplinger, J. L. Nature Chem. 2010, 2, 723-729
13. Chermette, H.; Rachedi, K.; Volatron, F. J. Mol. Struct. (THEOCHEM) 2006, 762, 109-121
14. Coe, B. J.; Glenwright, S. J. Coord. Chem. Rev. 2000, 203, 5-80
15. Denning, R. G., Electronic Structure and Bonding in Actinyl Ions; Springer: Berlin, 1992; Vol. 79.
16. Bendix, J.; Bøgevig, A. Inorg. Chem. 1998, 37, 5992-6001
17. Griffith, W. P. J. Chem. Soc. A 1969, 211-218
18. de Wet, J. F.; du Preez, J. G. H. J. Chem. Soc., Dalton Trans. 1978, 592-597
19. Bartleet, J. M.; Denning, R. G.; Morrison, I. D. Mol. Phys. 1992, 75, 601-612
20. Brown, D.; Reynolds, C. T.; Moseley, P. T. J. Chem. Soc., Dalton Trans. 1972, 857-859
21. Randaccio, L.; Geremia, S.; Nardin, G.; Wuerges, J. Coord. Chem. Rev. 2006, 250, 1332-1350
22. Kuta, J.; Wuerges, J.; Randaccio, L.; Kozlowski, P. M. J. Phys. Chem. A 2009, 113, 11604-11612
23. O'Grady, E.; Kaltsoyannis, N. Dalton Trans. 2002, 1233-1239
24. Kovács, A.; Konings, R. J. M. Chem. Phys. Chem. 2006, 7, 455-462
25. Straka, M.; Dyall, K. M.; Pyykkö, P. Theor. Chem. Acc. 2001, 106, 393-403
26. García-Hernández, M.; Lauterbach, C.; Krüger, S.; Matveev, A.; Rösch, N. J. Comput. Chem. 2002, 23, 834-846
27. Vetere, V.; Maldivi, P.; Adamo, C. J. Comput. Chem. 2003, 24, 850-858
28. Batista, E. R.; Martin, R. L.; Hay, P. J. J. Chem. Phys. 2004, 121, 11104-11111
29. Iché-Tarrat, N.; Marsden, C. J. J. Phys. Chem. A 2008, 112, 7632-7642
30. Schreckenbach, G.; Shamov, G. A. Acc. Chem. Res. 2010, 43, 19-29
31. Odoh, S. O.; Schreckenbach, G. J. Phys. Chem. A 2010, 114, 1957-1963
32. Shamov, G. A.; Schreckenbach, G.; Vo, T. N. Chem. Eur. J. 2007, 13, 4932-4947
33. Denning, R. G. J. Phys. Chem. A 2007, 111, 4125-4143
34. Castro-Rodriguez, I.; Meyer, K. Chem. Commun. 2006, 1353-1368
35. Bart, S. C.; Anthon, C.; Heinemann, F. W.; Bill, E.; Edelstein, N. M.; Meyer, K. J. Am. Chem. Soc. 2008, 130, 12536-12546
36. Jones, E. R.; Hendricks, M. E.; Stone, J. A.; Karraker, D. G. J. Chem. Phys. 1974, 60, 2088-2094
37. Castro-Rodriguez, I.; Olsen, K.; Gantzel, P.; Meyer, K. J. Am. Chem. Soc. 2003, 125, 4565-4571
38. Castro-Rodriguez, I.; Nakai, H.; Zakharov, L. N.; Rheingold, A. L.; Meyer, K. Science 2004, 305, 1757-1760
39. Boudreaux, E. A.; Mulay, L. N., Theory and Applications of Molecular Paramagnetism; Wiley: New York, 1976; Vol. 510.
40. Zi, G.; Jia, L.; Werkema, E. L.; Walter, M. D.; Gottfriedsen, J. P.; Andersen, R. A. Organometallics 2005, 24, 4251-4264
41. Crawford, M.-J.; Ellern, A.; Mayer, P. Angew. Chem., Int. Ed. 2005, 44, 7874-7878
42. Avens, L. R.; Bott, S. G.; Clark, D. L.; Sattelberger, A. P.; Watkin, J. G.; Zwick, B. D. Inorg. Chem. 1994, 33, 2248-2256
43. Clark, D. L.; Sattelberger, A. P.; Andersen, R. A. Inorg. Synth 1997, 31, 307
44. Clark, D.; Sattelberger, A. P.; Bott, S. G.; Vrtis, R. N. Inorg. Chem. 1989, 28, 1771-1773
45. Lam, O. P.; Bart, S. C.; Kameo, H.; Heinemann, F. W.; Meyer, K. Chem. Commun. 2010, 46, 3137-3139
46. Spencer, L. P.; Altwer, R.; Wei, P.; Gelmini, L.; Gauld, J.; Stephan, D. W. Organometallics 2003, 22, 3841-3854
47. Ahlrichs, R.; Bär, M.; Häser, M.; Horn, H.; Kölmel, C. Chem. Phys. Lett. 1989, 162, 165
48. Ahlrichs, R.; Furche, F.; Hättig, C.; Klopper, W. M.; Sierka, M.; Weigend, F. Turbomole version 5.10, University of Karlsruhe, since 1989; www.turbomole.com.
49. te Velde, G.; Bickelhaupt, F. M.; van Gisbergen, S. J. A.; Fonseca Guerra, C.; Baerends, E. J.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22, 931-967
50. Baerends, E. J., et al. Amsterdam Density Functional Program (ADF) version 2010.01, Amsterdam, since 1978; www.scm.com.
51. Becke, A. D. Phys. Rev. A 1988, 38, 3098
52. Perdew, J. P. Phys. Rev. B 1986, 33 (12) 8822
53. Perdew, J. P.; Burke, K.; Ernzerhoff, M. Phys. Rev. Lett. 1996, 77, 3865
54. Tao, J.; Perdew, J. P.; Staroverov, V. N.; Scuseria, G. E. Phys. Rev. Lett. 2003, 91, 146401
55. Grimme, S. J. Comput. Chem. 2006, 27, 1787-1799
56. Staroverov, V. N.; Scuseria, G. E.; Tao, J.; Perdew, J. P. J. Chem. Phys. 2003, 119, 12129
57. Becke, A. D. J. Chem. Phys. 1993, 98, 5648
58. Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623-11627
59. Ernzerhof, M.; Scuseria, G. E. J. Chem. Phys. 1999, 110, 5029
60. Adamo, C.; Barone, V. J. Chem. Phys. 1999, 110, 6158
61. Weigend, F. Phys. Chem. Chem. Phys. 2006, 8, 1057-1065
62. Weigend, F.; Ahlrichs, R. Phys. Chem. Chem. Phys. 2005, 7, 3297-3305
63. Küchle, W.; Dolg, M.; Stoll, H.; Preuss, H. J. Chem. Phys. 1994, 100, 7535
64. Cao, X.; Dolg, M. J. Mol. Struct. (THEOCHEM) 2004, 673, 203-209
65. Andrae, D.; Häussermann, U.; Dolg, M.; Stoll, H.; Preuss, H. Theor. Chim. Acta 1990, 77, 123
66. Eichkorn, K.; Treutler, O.; Öhm, H.; Häser, M.; Ahlrichs, R. Chem. Phys. Lett. 1995, 240, 283-290
67. Sierka, M.; Hogekamp, A.; Ahlrichs, R. J. Chem. Phys. 2003, 118, 9136
68. Van Lenthe, E.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1993, 99, 4597-4610