Activation of dioxygen by an yttrium iodide adduct: First example of an yttrium superoxide displaying also a rare 1,1-bridging mode of the superoxide ligand

Inorganic Chemistry Communications

Volumn 10, Issue 1, 2007, Pages 15-19

  Mishra, Shashank ^a   Hubert Pfalzgraf, Liliane G ^a   Rolland, Marc ^b   Chermette, Henry ^a  

^a UNIVERSITÉ LYON 1   (France)

^b CNRS   (France)

Author keywords

Dioxygen activation; Iodide; Structure; Superoxide; Yttrium

Indexed keywords

EID: 33845207896     PISSN: 13877003     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.inoche.2006.07.020     Document Type: Article

References (69)

1. Meyer G., and Wickleder M.S. In: Gschneider Jr. K.A., and Eyring L. (Eds). Handbook on the Chemistry and Physics of Rare Earths vol. 28 (2000), Elsevier, Amsterdam 53-129 (Chapter 177)
2. See for some recent examples,. Evans W.J., Shreever J.L., Ziller J.W., and Doedens R.J. Inorg. Chem. 34 (1995) 576
3. Willey G.R., Woodman T.J., and Drew M.G.B. Polyhedron 16 (1997) 3385
4. Deacon G.B., Evans D.J., and Junk P.C. Z. Anorg. Allg. Chem. 628 (2002) 2033
5. Baisch U., Amico D.B.D., Calderazzo F., Conti R., Labella L., Marchetti F., and Quadrelli E.A. Inorg. Chim. Acta 357 (2004) 1538
6. Deacon G.B., Feng T., Junk P.C., Meyer G., Scott N.M., Skelton B.W., and White A.H. Aus. J. Chem. 53 (2000) 853
7. Petricek S. Polyhedron 23 (2004) 2293
8. Barnhart D.M., Frankcom T.M., Gordon P.L., Sauer N.C., Thompson J.A., and Watkin J.C. Inorg. Chem. 34 (1995) 4862
9. Wietzke R., Mazzanti M., Latour J.M., and Pecaut J. J. Chem. Soc., Dalton Trans. (2000) 4167
10. Karmazin L., Mazzanti M., Bezombes J.P., Gateau C., and Pecaut J. Inorg. Chem. 43 (2004) 5147
11. Giesbrecht G.R., Gordon J.C., Clark D.L., and Scott B.L. Inorg. Chem. 43 (2004) 1065
12. Izod K., Liddle S.T., and Clegg W. Inorg. Chem. 43 (2004) 214
13. Lindqvist-Reis P., Naslund J., Persson I., and Sandstrom M. J. Chem. Soc., Dalton Trans. (2000) 2703
14. Jongen L., and Meyer G. Acta Cryst. E 61 (2005) i151
15. Baney R.H., Bergstrom D.F., and Justice B.H. Chem. Mater. 4 (1992) 984
16. Matsubara I., Paranthaman M., Singhal A., Vallet C., Lee D.F., Martin P.M., Hunt R.D., Feenstra R., Yang C.Y., and Babcock S.E. Physica C 319 (1999) 127
17. See for example,. Vaska L. Acc. Chem. Res. 9 (1976) 175
18. Feig A.L., and Lippard S.J. Chem. Rev. 94 (1994) 759
19. Solomon E.I., Sundaram U.M., and Machonkin T.E. Chem. Rev. 96 (1996) 2563
20. Sono M., Roach M.P., Coulter E.D., and Dawson J.H. Chem. Rev. 96 (1996) 2841
21. Karlin K.D., Kaderli S., and Zuberbuhler A.D. Acc. Chem. Res. 30 (1997) 139
22. Costs M., Chen K., and Que Jr. L. Coord. Chem. Rev. 200 (2000) 517
23. Kitajima N., Fujisawa K., Fujimoto C., Moro-oka Y., Hashimoto S., Kitagawa T., Toriumi K., Tatsumi K., and Nakamura A. J. Am. Chem. Soc. 114 (1992) 1277
24. Mahapatra S., Halfen J.A., Wilkinson E.C., Que L., and Tolman W.B. J. Am. Chem. Soc. 116 (1994) 9785
25. Hikichi S., Komatsuzaki H., Kitajima N., Akita M., Mukai M., Kitagawa T., and Moro-oka Y. Inorg. Chem. 36 (1997) 266
26. Kodera M., Katayama K., Tachi Y., Kano K., Hirota S., Fujinami S., and Suzuki M. J. Am. Chem. Soc. 121 (1999) 11006
27. Kodera M., Kajita Y., Tachi Y., Katayama K., Kano K., Hirota S., Fujinami S., and Suzuki M. Angew. Chem., Int. Ed. 43 (2004) 334
28. Sucha V., Sivak M., Tyrselova J., and Marek J. Polyhedron 16 (1997) 2837
29. Miyaji T., Kujime M., Hikichi S., Moro-oka Y., and Akita M. Inorg. Chem. 41 (2002) 5286
30. Chishiro T., Shimazaki Y., Tani F., Tachi Y., Naruta Y., Karasawa S., Hayami S., and Maeda Y. Angew. Chem., Int. Ed. 42 (2003) 2788
31. Won T.J., Barnes C.L., Schlemper E.O., and Thompson R.C. Inorg. Chem. 34 (1995) 4499
32. Kuchta L., Sivak M., Marek J., Pavelcik F., and Casny M. New J. Chem. (1999) 43
33. Sensato F.R., Cass Q.B., Longo E., Zukerman-Schpector J., Custodio R., Andres J., Hernandes M.Z., and Longo R.L. Inorg. Chem. 40 (2001) 6022
34. Dakanali M., Kefalas E.T., Raptopoulou C.P., Terzis A., Voyiatzis G., Kyrikou I., Mavromoustakos T., and Salifoglou A. Inorg. Chem. 42 (2003) 4632
35. Ahmed M., Schwendt P., Marek J., and Sivak M. Polyhedron 23 (2004) 655
36. Vaartstra B.A., Xiao J., and Cowie M. J. Am. Chem. Soc. 112 (1990) 9425
37. Xiao J., Santarsiero B.D., Vaartstra B.A., and Cowie M. J. Am. Chem. Soc. 115 (1993) 3212
38. Ramprasad D., Gilicinski A.G., Markley T.J., and Pez G.P. Inorg. Chem. 33 (1994) 2841
39. Schenker R., Kieber-Emmons M.T., Riordan C.G., and Brunold T.C. Inorg. Chem. 44 (2005) 1752
40. Gall R.S., and Schaefer W.P. Inorg. Chem. 15 (1976) 2758
41. Bakac A., and Guzei I.A. Inorg. Chem. 39 (2000) 736
42. Prigge S.T., Eipper B.A., Mains R.E., and Amzel L.M. Science 304 (2004) 864
43. Zhang X., Loppnow G.R., McDonald R., and Takats J. J. Am. Chem. Soc. 117 (1995) 7828
44. Bradley D.C., Ghotra J.S., Hart F.A., Hursthouse M.B., and Raithby P.R. J. Chem. Soc., Dalton Trans. (1977) 1166
45. Niemeyer M. Z. Anorg. Allg. Chem. 628 (2002) 647
46. Neumuller B., Weller F., Grob T., Dehnicke K., and Anorg Z. Allg. Chem. 628 (2002) 2365
47. Cui D., Tang T., Cheng J., Hu N., Chen W., and Huang B. J. Organomet. Chem. 650 (2002) 84
48. Patroniak V., Kubicki M., and Radecka-Paryzek W. J. Incl. Phen. Macro. Chem. 49 (2004) 121
49. 4 (1), which was moderately soluble in toluene, 2 and 3 were completely insoluble in toluene.
50. Hrncir D.C., Rogers R.D., and Atwood J.L. J. Am. Chem. Soc. 103 (1981) 4277
51. -3, GOF = 0.923.
52. Poncelet O., Sartain W.J., Hubert-Pfalzgraf L.G., Folting K., and Caulton K.G. Inorg. Chem. 28 (1989) 263
53. The density functional theory within the Kohn-Sham methodology [33] has been used to model 2. The generalized gradient approximation (GGA) has been employed within the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional formulation [34]. The calculations have been performed using the ADF04 program package [35]. The basis set was of triple-ξ quality + polarization (TZP) with small frozen cores. Relativistic effects are expected not to be negligible, at least for I, hence these effects have been taken into account for all electrons with the zero order regular approximation (ZORA) [36]. Finally the integration grid parameter, setting the numerical integration accuracy, has been fixed to 4.5.
54. Cramer C.J., Tolman W.B., Theopold K.H., and Rheingold A.L. PNAS 100 (2003) 3635
55. Chermette H. J. Comp. Chem. 20 (1999) 129
56. Hirshfeld F.L. Theor. Chim. Acta 44 (1977) 129
57. S. Mishra, L.G. Hubert-Pfalzgraf, E. Jeanneau, unpublished results.
58. S. Morlens, Ph.D. Thesis, University of Lyon1, France, May 2004.
59. CrysAlis CCD and CrysAlis RED, Versions 1.71.26. Oxford Diffraction Ltd. Abingdon. Oxfordshire, England 2005.
60. Blessing R.H. An empirical correction for absorption anisotropy. Acta Cryst. A 51 (1995) 33
61. Sheldrick G.M. SHELXS97. Program for Crystal Structure Solution (1997), University of Göttingen, Germany
62. Sheldrick G.M. SHELXL97. Program for Crystal Structure Refinement (1997), University of Göttingen, Germany
63. Koch W., and Holthausen M.C. A Chemist's Guide to Density Functional Theory (2000), Wiley-VCH, New York
64. Kohn W., and Sham L.J. Phys. Rev. 140 (1965) A1133
65. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
66. E.J. Baerends, J. Autschbach, A. Bérces, C. Bo, P.M. Boerrigter, L. Cavallo, D.P. Chong, L. Deng, R.M. Dickson,D.E. Ellis, M. van Faassen, L. Fan, T.H. Fischer, C. Fonseca Guerra, S.J.A. van Gisbergen, J.A. Groeneveld, O.V. Gritsenko, M. Grüning, F.E. Harris, P. van den Hoek, H. Jacobsen, L. Jensen, G. van Kessel, F. Kootstra, E. van Lenthe, D.A. McCormack, A. Michalak, V.P. Osinga, S. Patchkovskii, P.H.T. Philipsen, D. Post, C.C. Pye, W. Ravenek, P. Ros, P.R.T. Schipper, G. Schreckenbach, J.G. Snijders, M. Sola, M. Swart, D. Swerhone, G. te Velde, P. Vernooijs, L. Versluis, O. Visser, F. Wang, E. van Wezenbeek, G. Wiesenekker, S.K. Wolff, T.K. Woo, A.L. Yakovlev, T. Ziegler, ADF2005.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands.
67. van Lenthe E., Baerends E.J., and Snijders J.G. J. Chem. Phys. 99 (1993) 4597
68. van Lenthe E., Baerends E.J., and Snijders J.G. J. Chem. Phys. 101 (1994) 9783
69. van Lenthe E., Ehlers A.E., and Baerends E.J. J. Chem. Phys. 110 (1999) 8943