Re(V) complexes formed by metal-assisted solvolysis of di-(2-pyridyl) ketone: Synthesis, X-ray studies, redox behavior and DFT calculations

Inorganica Chimica Acta

Volumn 376, Issue 1, 2011, Pages 105-111

  Pejo, C ^a   Pardo, H ^a   Mombru A ^a   Cerda M F ^a   Gancheff, J S ^a   Chiozzone, R ^a   Gonzalez R ^a  

^a UNIVERSIDAD DE LA REPÚBLICA   (Uruguay)

Author keywords

Crystal structures; DFT and TDDFT calculations; Di 2 pyridylketone; Electrochemistry; Re(V) complexes

Indexed keywords

CHLORINE COMPOUNDS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTROCHEMISTRY; ELECTRONIC PROPERTIES; KETONES; SINGLE CRYSTALS; SOLVENTS; SYNTHESIS (CHEMICAL);

ALCOHOLYSIS REACTIONS; CYCLIC VOLTAMMOGRAMS; DFT AND TDDFT CALCULATIONS; DI-2-PYRIDYLKETONE; EQUILIBRIUM GEOMETRIES; OCTAHEDRAL ENVIRONMENT; ONE-ELECTRON TRANSFER; SINGLE CRYSTAL X-RAY DIFFRACTION;

RHENIUM COMPOUNDS;

EID: 80052837242     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2011.06.010     Document Type: Article

References (71)

1. S. Jurisson, D. Berning, W. Jia, and O. Ma Chem. Rev. 93 1993 1137
2. W. Volkert, and T. Hoffman Chem. Rev. 99 1999 2269
3. C. Redshaw, X. Liu, S. Zhan, D.L. Hughes, H. Baillie-Johnson, M.R.J. Elsegood, and S.H. Dale Eur. J. Inorg. Chem. 2008 2698
4. U. Choudhry, W.E.P. Greenland, W.A. Goddard, T.A.J. Maclennan, S.J. Teat, and P.J. Blower Dalton Trans. 2003 311
5. U. Oetliker, C. Savoie, S. Stanislas, C. Reber, F. Connac, A.L. Beauchamp, F. Loiseau, and M. Dartiguenave Chem. Commun. 1998 657 and references therein
6. S. Dinga, M.G.B. Drew, and R. Bhattacharyya Catal. Commun. 10 2009 720
7. P.M. Reis, P.J. Costa, C.C. Romão, J.A. Fernándes, M.J. Calhorda, and B. Royo Dalton Trans. 2008 1727
8. G. Du, P.E. Fanwick, and M.M. Abu-Omar Inorg. Chim. Acta 361 2008 3184
9. A. Sachse, N.C. Mösch-Zanetti, G. Lyashenko, J.W. Wielandt, K. Most, J. Magull, F. Dall-Antonia, A. Pal, and R. HerbstIrmer Inorg. Chem. 46 2007 7129
10. B.D. Sherry, R.N. Loy, and F.D. Toste J. Am. Chem. Soc. 126 2004 4510
11. M.M. Abu-Omar, and S.I. Khan Inorg. Chem. 37 1998 4979
12. J.H. Espenson Coord. Chem. Rev. 249 2005 329
13. J.H. Espenson Adv. Inorg. Chem. 54 2003 158
14. U. Abram, in: J.A. McCleverty, T.J. Meyer (Eds.), Comprehensive Coordination Chemistry, second ed. vol. 5, Elsevier, 2004, p. 271 (Chapter 5.3).
15. B. Johannsen, and H. Spies Top. Curr. Chem. 176 1995 77
16. G. Rouschias Chem. Rev. 74 1974 531
17. M. Toyama, M. Nakahara, and N. Nagao Bull. Chem. Soc. Jpn. 80 2007 937
18. C. Godard, S.B. Duckett, S. Parsons, and R.N. Perutz Chem. Commun. 2003 2332
19. T. Stamatatos, C.G. Efthymiou, C. Stoumpos, and S.P. Perlepes Eur. J. Inorg. Chem. 2009 3361
20. A.J. Tasiopoulos, and S.P. Perlepes Dalton Trans. 2008 5537
21. M.L. Tong, M. Monfort, J.M. Clemente Juan, X.-M. Chen, X.-H. Bu, M. Ohba, and S. Kitagawa Chem. Commun. 2005 233
22. Y. Li, S. Xiang, T. Sheng, J. Zhang, S. Hu, R. Fu, X. Huang, and X. Wu Inorg. Chem. 45 2006 6577
23. B.F. Abrahams, T.A. Hudson, and R. Robson Chem. Eur. J. 12 2006 7095
24. G.R. Newkome, H.C.R. Taylor, F.R. Fronczek, and V.K. Gupta Inorg. Chem. 25 1986 1149
25. B. Machura, J. Mroziński, R. Kruszynski, and J. Kusz Polyhedron 28 2009 2821
26. T.I.A. Gerber, H.J. Kemp, J.G.H. Du Perez, and G. Bandoli J. Coord. Chem. 28 1993 329
27. G. Bandoli, A. Dolmella, T.I.A. Gerber, J.G.H. Du Perez, and H.J. Kemp Inorg. Chim. Acta 217 1994 141
28. J. Grewe, A. Hagenbach, B. Stromburg, R. Alberto, E. Vazquez-Lopez, and U. Abram Z. Anorg. Allg. Chem. 629 2003 303
29. R. Chiozzone, R. González, C. Kremer, G. De Munno, J. Cano, F. Lloret, M. Julve, and J. Faus Inorg. Chem. 38 1999 4745
30. R. González, R. Chiozzone, C. Kremer, G. De Munno, F. Nicoló, F. Lloret, M. Julve, and J. Faus Inorg. Chem. 42 2003 2512
31. R. Chiozzone, A. Cuevas, R. González, C. Kremer, D. Armentano, G. De Munno, and J. Faus Inorg. Chim. Acta 359 2006 2194
32. R. Chiozzone, R. González, C. Kremer, M.F. Cerdá, D. Armentano, G. De Munno, J. Martínez-Lillo, and J. Faus Dalton Trans. 2007 653
33. L. Arizaga, R. González, R. Chiozzone, C. Kremer, M.F. Cerdá, D. Armentano, G. De Munno, F. Lloret, and J. Faus Polyhedron 27 2008 552
34. R. González, N. Barboza, R. Chiozzone, C. Kremer, D. Armentano, G. De Munno, and J. Faus Inorg. Chim. Acta 361 2008 2715
35. J. Martínez-Lillo, D. Armentano, N. Marino, L. Arizaga, R. Chiozzone, R. González, C. Kremer, J. Cano, and J. Faus Dalton Trans. 2008 4585
36. R. Chiozzone, R. González, C. Kremer, G. De Munno, and J. Faus Inorg. Chim. Acta 325 2001 203
37. J. Martínez-Lillo, D. Armentano, G. De Munno, F. Lloret, M. Julve, and J. Faus Inorg. Chim. Acta 359 2006 3291
38. Molecular Structure Corporation. MSC/AFC Diffractometer Control Software. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA, 1988.
39. G.M. Sheldrick Acta Cryst. A64 2008 112
40. L.J. Farrugia J. Appl. Cryst. 32 1999 837
41. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
42. C. Adamo, and V. Barone J. Chem. Phys. 110 1999 6158
43. A.D. Becke J. Chem. Phys. 98 1993 5648
44. J.S. Gancheff, R.Q. Albuquerque, A. Guerrero-Martínez, T. Pape, L. De Cola, and F.E. Hahn Eur. J. Inorg. Chem. 2009 4043
45. J.S. Gancheff, P.A. Denis, and F.E. Hahn J. Mol. Struct. (Theochem) 941 2010 1
46. R.E. Easton, D.J. Giesen, A. Welch, C.J. Cramer, and D.G. Truhlar Theor. Chim. Acta 93 1996 281
47. M. Dolg, U. Wedig, H. Stoll, and H. Preuss J. Chem. Phys. 86 1987 866
48. J.M.L. Martin, and A. Sundermann J. Chem. Phys. 114 2001 3408
49. D. Andrae, U. Häussermann, M. Dolg, H. Stoll, and H. Preuss Theor. Chim. Acta 77 1990 123
50. A. Bergner, M. Dolg, W. Kuechle, H. Stoll, and M. Preuss Mol. Phys. 80 1993 1431
51. A.D. Becke Phys. Rev. A 38 1998 3098
52. A.D. Becke J. Chem. Phys. 98 1993 1372
53. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
54. P.J. Hay, and W.R. Wadt J. Chem. Phys. 82 1985 299
55. P. Pyykkö The Effect of Relativity in Atoms, Molecules and The Solid State 1990 Plenum New York
56. E.S. Böes, P.R. Livotto, and H. Stassen Chem. Phys. 331 2006 142
57. V. Barone, and M. Cossi J. Phys. Chem. A 102 1998 1995
58. M. Cossi, N. Rega, G. Scalmani, and V. Barone J. Comput. Chem. 24 2003 669
59. N.M. O'Boyle, A.L. Tenderholt, and K.M. Langner J. Comput. Chem. 29 2008 839
60. J.P. Foster, and F. Weinhold J. Am. Chem. Soc. 102 1980 7211
61. A.E. Reed, and F. Weinhold J. Chem. Phys. 83 1985 1736
62. A.E. Reed, R.B. Weinstock, and B. Weinhold J. Chem. Phys. 83 1985 735
63. A.E. Reed, L.A. Curtis, and F. Weinhold Chem. Rev. 88 1988 899
64. gaussian 03, Rev. D2, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, gaussian, Inc., Wallingford CT, 2004.
65. J.M. Mayer Inorg. Chem. 27 1988 3899
66. O. Grtisenko, and E.J. Baerends J. Chem. Phys. 121 2004 655
67. A. Dreuw, and M.J. Head-Gordon J. Am. Chem. Soc. 126 2004 4007
68. M. Turki, C. Daniel, S. Zális, A. Vlcek Jr., J. van Slageren, and D.J. Stufkens J. Am. Chem. Soc. 123 2001 11431
69. B. Machura, M. Wolff, A. Świtlicka, and I. Gryca Polyhedron 29 2010 2381
70. B. Machura, M. Wolff, and J. Kusz Polyhedron 29 2010 1619
71. B. Machura, J. Kusz, D. Tabak, and R. Kruszynski Polyhedron 28 2009 493