Effects of electronic mixing in ruthenium(II) Complexes with two equivalent acceptor ligands. Spectroscopic, electrochemical, and computational studies

Inorganic Chemistry

Volumn 49, Issue 15, 2010, Pages 6840-6852

  Allard, Marco M ^a   Odongo, Onduru S ^a   Lee, Mandy M ^b   Chen, Yuan Jang ^b   Endicott, John F ^a   Schlegel, H Bernhard ^a  

^a WAYNE STATE UNIVERSITY   (United States)

^b FU JEN CATHOLIC UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84962424364     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic100202h     Document Type: Article

References (89)

1. Electron Transfer in Chemistry; Balzani, V., Ed.; Wiley-VCH: Weinheim, Germany, 2001; Vol. 1-5.
2. Meyer, T. J. and Taube, H. In Comprehensive Coordination Chemistry; Wilkinson, G., Gillard, R. D., and McCleverty, J., Eds.; Pergamon: Oxford, England, 1987; Vol. 7; pp 331.
3. Barbara, P. F., Meyer, T. J., and Ratner, M. J. Phys. Chem. 1996, 100, 13148
4. O'Regan, B. and Graetzel, M. Nature 1991, 353, 737
5. Graetzel, M. and Moser, J.-E. In Electron Transfer in Chemistry; Balzani, V., Ed.; Wiley-VCH: Weinheim, 2001; Vol. 5; pp 589.
6. Graetzel, M. Inorg. Chem. 2005, 44, 6841
7. Hush, N. S. Prog. Inorg. Chem. 1967, 8, 391
8. Hush, N. S. In Mechanistic Aspects of Inorganic Reactions; Rorabacher, D. B. and Endicott, J. F., Eds.; ACS Symposium Series 198; American Chemical Society: Washington, DC, 1982; p 301.
9. Marcus, R. A. Discuss. Faraday Soc. 1960, 29, 21
10. Marcus, R. A. Annu. Rev. Phys. Chem. 1964, 15, 155
11. Endicott, J. F. In Comprehensive Coordination Chemistry II, 2 ed.; McCleverty, J. and Meyer, T. J., Eds.; Pergamon: Oxford, U.K., 2003; Vol. 7; p 657.
12. Creutz, C. and Chou, M. H. Inorg. Chem. 1987, 26, 2995
13. Oh, D. H. and Boxer, S. G. J. Am. Chem. Soc. 1990, 112, 8161
14. Oh, D. H., Sano, M., and Boxer, S. G. J. Am. Chem. Soc. 1991, 113, 6880
15. Seneviratne, D. S., Uddin, M. J., Swayambunathan, V., Schlegel, H. B., and Endicott, J. F. Inorg. Chem. 2002, 41, 1502
16. Coe, B. J., Harris, J. A., Brunschwig, B. S., I., A., Clays, K., Garin, J., and Orduna, J. J. Am. Chem. Soc. 2005, 127, 13399
17. Creutz, C., Newton, M. D., and Sutin, N. J. Photochem. Photobiol. A: Chem. 1994, 82, 47
18. Crutchley, R. Adv. Inorg. Chem. 1994, 41, 273
19. Shin, Y. K., Brunschwig, B. S., Creutz, C., and Sutin, N. J. Phys. Chem. 1996, 100, 8157
20. Mulliken, R. S. and Person, W. B. Molecular Complexes; Wiley-Interscience: New York, 1967.
21. Zwickel, A. M. and Creutz, C. Inorg. Chem. 1971, 10, 2395
22. Plummer, E. A. and Zink, J. I. Inorg. Chem. 2006, 45, 6556
23. Brunschwig, B. S. and Sutin, N. Coord. Chem. Rev. 1999, 187, 233
24. Hush, N. S. Electrochim. Acta 1968, 13, 1005
25. Creutz, C. Prog. Inorg. Chem. 1983, 30, 1
26. Yersin, H., Braun, D., Hensler, G., and Galhuber, E. In Vibronic Processes in Inorganic Chemistry; Flint, C. D., Ed.; Kluwer: Dordrecht, The Netherlands, 1989; p 195.
27. Braun, D., Hensler, C., Gallhuber, E., and Yersin, H. J. Phys. Chem. 1991, 95, 1067
28. Lundqvist, M. J., Galoppini, E., Meyer, G. J., and Persson, P. J. Phys. Chem. A 2007, 111, 1487
29. Caspar, J. V. and Meyer, T. J. Inorg. Chem. 1983, 22, 2446
30. Lever, A. B. P. and Dodsworth, E. S. In Electronic Structure and Spectroscopy of Inorganic Compounds, Vol. II; Lever, A. B. P. and Solomon, E. I., Eds.; Wiley: New York, 1999; p 227.
31. Dodsworth, E. S. and Lever, A. B. P. Chem. Phys. Lett. 1986, 124, 152
32. Jorgensen, C. K. Mol. Phys. 1959, 2, 309
33. Jorgensen, C. K. Orbitals in Atoms and Molecules; Academic: New York, 1962.
34. Bryant, G. M., Ferguson, J. E., and Powell, H. K. Aust. J. Chem. 1971, 24, 257
35. Magnuson, R. H. and Taube, H. J. Am. Chem. Soc. 1975, 97, 5129
36. Kalinina, D., Dares, C., Kaluarachchi, H., Potvin, P. G., and Lever, A. B. P. Inorg. Chem. 2008, 47, 10110
37. Lever, A. B. P. Inorganic Electronic Spectroscopy; Elsevier: Amsterdam, The Netherlands, 1984.
38. Odongo, O. S., Heeg, M. J., Chen, J. Y., Xie, P., and Endicott, J. F. Inorg. Chem. 2008, 47, 7493
39. Koiwa, T., Masuda, Y., Shono, J., Kawamoto, Y., Hoshino, Y., Hashimoto, T., Natarajau, K., and Shimizu, K. Inorg. Chem. 2004, 43, 6215
40. Koiwa, T., Masuda, Y., Shono, J., Kawamoto, Y., Hoshino, Y., Hashimoto, T., Natarajau, K., and Shimizu, K. Inorg. Chem. 2004, 43, 6215
41. Gorelsky, S. I., Kotov, V. Y., and Lever, A. B. P. Inorg. Chem. 1998, 37, 4584
42. Endicott, J. F. In Electron Transfer in Chemistry; Balzani, V., Ed.; Wiley-VCH: New York, 2001; Vol. 1; pp 238.
43. Richardson, D. E. and Taube, H. Coord. Chem. Rev. 1984, 60, 107
44. Cannon, R. D. Adv. Inorg. Chem. Radiochem. 1979, 21, 179
45. Matyushov, D. V. and Voth, G. A. J. Phys. Chem. A 2000, 104, 6470
46. Xie, P., Chen, Y.-J., Uddin, M. J., and Endicott, J. F. J. Phys. Chem. A 2005, 109, 4671
47. Ferretti, A., Lami, A., and Villani, G. Inorg. Chem. 1998, 37, 2799
48. Shin, Y. K., Szalda, D. J., Brunschwig, B. S., Creutz, C., and Sutin, N. Inorg. Chem. 1997, 36, 3190
49. Creutz, C. and Taube, H. J. Am. Chem. Soc. 1973, 95, 1086
50. Brunschwig, B. S., Creutz, C., and Sutin, N. Chem. Soc. Rev. 2002, 31, 168
51. Demadis, K. D., Hartshorn, C. M., and Meyer, T. J. Chem. Rev. 2001, 101, 2655
52. Krentzien, H. J., Ph.D dissertation, Stanford University, Palo Alto, CA, 1976.
53. Durante, V. A. and Ford, P. C. Inorg. Chem. 1979, 18, 588
54. Pavanin, L. A., da Rocha, Z. N., Giesbrecht, E., and Tfouni, E. Inorg. Chem. 1991, 30, 2185
55. Ford, P. C. and Sutton, C. Inorg. Chem. 1969, 8, 1544
56. Curtis, J. C., Sullivan, B. P., and Meyer, T. J. Inorg. Chem. 1983, 22, 224
57. Petroni, A., Slep, L. D., and Etchenique, R. Inorg. Chem. 2008, 47, 951
58. Dwyer, F. P., Goodwin, H. A., and Gyarfas, E. C. Aust. J. Chem. 1962, 16, 42
59. Dwyer, F. P., Goodwin, H. A., and Gyarfas, E. C. Aust. J. Chem. 1963, 16, 544
60. See the Supporting Information.
61. Gould, I. R., Noukakis, D., Gomez-Jahn, L., Young, R. H., Goodman, J. L., and Farid, S. Chem. Phys. 1993, 176, 439
62. Hupp, J. T. and Williams, R. T. Acc. Chem. Res. 2001, 34, 808
63. Maruszewski, K., Bajdor, K., Strommen, D. P., and Kincaid, J. R. J. Phys. Chem. 1995, 99, 6286
64. Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Scalmani, G., Barone, V., Mennucci, B., Petersson, G. A., Nakatsuji, H., Caricato, M., Li, X., Hratchian, H. P., Izmaylov, A. F., Bloino, J., Zheng, G., Sonnenberg, J. L., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Montgomery, J. A., Peralta, J. E., Ogliaro, F., Bearpark, M., Heyd, J., Brothers, J. E., Kudin, K. N., Staroverov, V. N., Kobayashi, R., Normand, J., Raghavachari, K., Rendell, A., Burant, J. C., Iyengar, S. S., Tomasi, J., Cossi, M., Rega, N., Millam, J. M., Klene, M., Knox, J. E., Cross, J. B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R. E., Yazyev, O., Austin, A. J., Cammi, R., Pomelli, C., Ochterski, J. W., Martin, R. L., Morokuma, K., Zakrzewski, V. G., Voth, G. A., Salvador, P., Dannenberg, J. J., Dapprich, S., Parandekar, P. V., Mayhall, N. J., Daniels, A. D., Farkas, O., Foresman, J. B., Ortiz, J. V., Cioslowski, J., and Fox, D. J. Gaussian G09; Gaussian,Inc.: Wallingford, CT, 2009.
65. Becke, A. D. J. Chem. Phys. 1993, 98, 5648
66. Dunning, T. H., Jr. and Hay, P. J. In Modern Theoretical Chemistry; Schaefer, H. F., III, Ed.; Plenum: New York, 1976; Vol. 3; p 1.
67. Krishnan, R., Binkley, J. S., Seeger, R., and Pople, J. A. J. Chem. Phys. 1980, 72, 650
68. Perdew, J. P. Phys. Rev. B 1986, 33, 8822
69. Perdew, J. P., Burke, K., and Wang, Y. Phys. Rev. 1996, 54, 16533
70. Tawada, Y., Tsuneda, T., Yanagisawa, S., Yanai, T., and Hirao, K. J. Chem. Phys. 2004, 120, 8425
71. Vydrov, O. A., Scuseria, G. E., and Perdew, J. P. J. Chem. Phys. 2007, 126, 154109
72. Dunning, T. H., Jr. and Hay, P. J. In Modern theoretical Chemistry; Schaefer, H. F., III, Ed.; Plenum: New York, 1976; Vol. 3; pp 1.
73. Leininger, T., Nicklass, A., Stoll, H., Dolg, M., and Schwerdtfeger, P. J. Chem. Phys. 1996, 105, 1052
74. Woon, D. E. and Dunning, T. H., Jr. J. Chem. Phys. 1993, 98, 1358
75. Schlegel, H. B. and McDouall, J. J. In Computational Advances in Organic Chemistry; Ögretir, C. and Csizmadia, I. G., Eds.; Kluwer Academic: Amsterdam, The Netherlands, 1991.
76. Bauernschmitt, R. and Ahlrichs, R. J. Chem. Phys. 1996, 104, 9047
77. Schlegel, H. B. J. Comput. Chem. 1982, 3, 214
78. Miertu, S., Scrocco, E., and Tomasi, J. Chem. Phys. 1981, 55, 117
79. Tomasi, J., Mennucci, B., and Cammi, R. Chem. Rev. 2005, 105, 2999
80. Vlcek, A., Jr. and Zális, S. Coord. Chem. Rev. 2007, 251, 258
81. Runge, E. and Gross, E. K. U. Phys. Rev. Lett. 1984, 52, 997
82. GaussView 5.08; Gaussian Inc.: Wallingford, CT, 2009
83. Gorelsky, S. I. SWizard program, revision 4.6; http://www.sg-chem.net/, 2009.
84. Chen, Y.-J., Xie, P., Heeg, M. J., and Endicott, J. F. Inorg. Chem. 2006, 45, 6282
85. Chen, Y.-J., Endicott, J. F., and Swayambunathan, V. Chem. Phys. 2006, 326, 79
86. Matyushov, D. V. and Newton, M. D. J. Phys. Chem. A 2001, 105, 8516
87. Endicott, J. F. and Chen, Y.-J. Coord. Chem. Rev. 2007, 251, 328
88. Endicott, J. F., Chen, Y.-J., and Xie, P. Coord. Chem. Rev. 2005, 249, 343
89. Odongo, O. S., Allard, M. M., Schlegel, H. B., and Endicott, J. F. Inorg. Chem. 2010, submitted for publication.