Theoretical Study and Luminescence Properties of the Cyclic Cu3(dppm)3OH2+ Cluster. The First Luminescent Cluster Host at Room Temperature

Inorganic Chemistry

Volumn 35, Issue 8, 1996, Pages 2235-2241

  Provencher, Réjean ^a   Harvey, Pierre D ^a  

^a UNIVERSITÉ DE SHERBROOKE   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000061655     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic950812+     Document Type: Article

References (94)

1. (a) Lai, D. C.; Zink, J. I. Inorg. Chem. 1993, 32, 2594.
2. (b) Ryu, C. K.; Vitale, M.; Ford, P. C. Inorg. Chem. 1993, 32, 869.
3. (c) Ryu, C. K.; Kyle, K. R.; Ford, P. C. Inorg. Chem. 1991, 30, 3982.
4. (d) Kyle, K. R.; Ryu, C. K.; Ford, P. C. J. Am. Chem Soc. 1991, 113, 2954.
5. (e) Kyle, K. R., Palke, W. E.; Ford, P. C. Coord. Chem. Rev. 1990, 95, 35.
6. (f) Henary, M.; Zink, J. I. J. Am. Chem. Soc. 1989, 111, 7404.
7. (a) Rath, N. P.; Holt, E. M.; Tanimura, K. J. Chem. Soc., Dalton Trans. 1986, 2303.
8. (b) Volger, A.; Kunkely, H. J. Am. Chem. Soc. 1986, 108, 7211.
9. (c) Rath, N. P.; Holt, E. M.; Tanimura, Inorg. Chem. 1985, 24, 3934.
10. (d) Hardt, H. D.; Stroll, H.-J Z. Anorg. Allg. Chem. 1981, 480, 199.
11. (e) Eitel, E.; Oelkrug, D.; Hiller, W.; Strähle, J. Z. Naturforsch. 1980, 35B, 1247.
12. (a) McCleskey, T. M., Gray, H. B. Inorg. Chem. 1992, 31, 1733.
13. (b) Assefa, Z.; Destefano, F.; Garepapaghi, M. A.; LaCasce, J. H., Jr.; Ouellete, S.; Corson, M R.; Nagle, J K.; Patterson, M. H. inorg. Chem 1991, 30, 2862.
14. (c) Balch, A. C.; Catalano, V. J.; Olmstead, M. M. Inorg. Chem. 1990, 29, 585.
15. (d) Che, C.-M.; Kwon, H.-L.; Yam, V. W.-W.; Cho, K.-C. J. Chem. Soc., Chem. Commun. 1989, 885.
16. (e) Sabin, F.; Ryu, C. K.; Volger, A.; Ford, P. C. Inorg. Chem. 1992, 31, 1941.
17. (f) Caspar, J. V. J. Am. Chem. Soc. 1985, 107, 6718.
18. (g) Khan, M. N. I.; Fackler, J. P., Jr.; King, C.; Wang, J. C.; Wang, S. Inorg. Chem. 1988, 27, 1672.
19. (h) Che, C. M.; Wong, W. T.; Lai, T.-F.; Kwong, H.-L. J. Chem. Soc., Chem. Commun. 1989, 243.
20. (i) Balch, A. L.; Nagle, J. K.; Oram, D. E.; Reedy, P. E., Jr. J. Am. Chem. Soc. 1988, 110, 454.
21. (j) Wang, S.; Fackler, J. P., Jr., King C.; Wang, J. C. J. Am. Chem. Soc. 1988, 110, 3308.
22. (a) Harvey, P. D. Inorg Chem. 1995, 34,
23. (b) Piché, D.; Harvey, P. D. Can. J. Chem. 1994, 72, 705.
24. (c) Harvey, P. D.; Can, L. Inorg. Chem. 1990, 30, 3239.
25. (d) Perreault, D.; Drouin, M.; Michel, A.; Harvey, P. D. Inorg. Chem 1991, 30, 2.
26. (e) Hubig, S. M.; Drouin, M.; Michel, A.; Harvey, P. D. Inorg. Chem. 1992, 31, 3688.
27. (f) Harvey, P. D.; Gray, H. B. Polyhedron 1990, 9, 1949.
28. (g) Harvey, P D.; Adar, F.; Gray, H. B. J. Am. Chem. Soc. 1989, 111, 1312.
29. (h) Harvey, P. D.; Gray, H. B. J. Am. Chem. Soc. 1988, 110, 21245
30. (i) Harvey, P. D.; Schaefer, W. P.; Gray, H. B. Inorg. Chem. 1988, 27, 1101.
31. (a) Harvey, P. D.; Crozet, M.; Aye, K. T. Can J. Chem. 1995, 73, 123.
32. (b) Harvey, P. D.; Hubig, S.; Ziegler, T. Inorg. Chem. 1994, 33, 3700.
33. (c) Provencher, R.; Aye, K. T.; Drouin, M.; Gagnon, J.; Boudreault, N.; Harvey, P. D. Inorg. Chem. 1994, 33, 3689.
34. (d) Provencher, R.; Harvey, P. D. Inorg. Chem. 1993, 32, 61.
35. Puddephatt, R. J.; Manojlovic-Muir, L.; Muir, K W. Polyhedron 1990, 9, 2767.
36. 2+ is calculated to be 0.19 Å according to ADF. An emission band fitting similar to a Franck-Condon analysis also reports a ΔQ of 0.19 Å Provencher, R.; Harvey, P. D. Inorg. Chem. 1996, 35, 2113.
37. (a) Schubert, V. J.; Neugebawer, D.; Aly, A. A. M Z. Anorg. Allg. Chem 1980, 464, 217.
38. (b) Aly, A. A. M.; Neugebawer, D.; Orama, O.; Schubert, V.; Schmidbaur, H. Angew. Chem., Int. Ed. Engl. 1978, 17, 125.
39. Bresciani, N.; Marsich, N.; Nardin, G.; Randaccio, L. Inorg. Chim. Acta 1974, 10, L5-L6.
40. Ho, D. M.; Bau, R. Inorg. Chem. 1983, 22, 4079.
41. Gaughan, A. P., Jr.; Dori, Z.; Ibers, J. A. Inorg. Chem. 1974, 13, 1657.
42. (a) Perrin, D D.; Armarego, W. L. F.; Perrin, D. R. Purification of Laboratory Chemicals; Pergamon: Oxford, U.K., 1966.
43. (b) Gordon, A J.; Ford, R. A. The Chemist's Companion, a Handbook of Practical Data, Techniques, and References; Wiley: New York, 1972; p 436.
44. Lim, E. C.; Laposa, J. D.; Yu, J. M. H. J. Mol. Spectrosc. 1966, 19, 412.
45. See for examples: (a) Zelent, B., Harvey, P. D.; Durocher, G. Can. J Spectrosc. 1984, 29, 23. (b) Can. J. Spectrosc. 1983, 28, 188. (c) Harvey, P. D.; Zelent, B., Durocher, G. Spectrosc. Int. J. 1983, 2, 128 and references therein. (d) Brummer, J. G.; Crosby, G. A. Chem. Phys Lett. 1984, 112, 15
46. See for examples: (a) Zelent, B., Harvey, P. D.; Durocher, G. Can. J Spectrosc. 1984, 29, 23. (b) Can. J. Spectrosc. 1983, 28, 188. (c) Harvey, P. D.; Zelent, B., Durocher, G. Spectrosc. Int. J. 1983, 2, 128 and references therein. (d) Brummer, J. G.; Crosby, G. A. Chem. Phys Lett. 1984, 112, 15
47. See for examples: (a) Zelent, B., Harvey, P. D.; Durocher, G. Can. J Spectrosc. 1984, 29, 23. (b) Can. J. Spectrosc. 1983, 28, 188. (c) Harvey, P. D.; Zelent, B., Durocher, G. Spectrosc. Int. J. 1983, 2, 128 and references therein. (d) Brummer, J. G.; Crosby, G. A. Chem. Phys Lett. 1984, 112, 15
48. See for examples: (a) Zelent, B., Harvey, P. D.; Durocher, G. Can. J Spectrosc. 1984, 29, 23. (b) Can. J. Spectrosc. 1983, 28, 188. (c) Harvey, P. D.; Zelent, B., Durocher, G. Spectrosc. Int. J. 1983, 2, 128 and references therein. (d) Brummer, J. G.; Crosby, G. A. Chem. Phys Lett. 1984, 112, 15
49. Mealli, C.; Proserpio, D. M. J. Chem. Educ. 1990, 67, 399.
50. (a) Hoffmann, R.; Lipscomb, W. M. J. Chem. Phys. 1962, 36, 2179.
51. (b) Hoffmann, R., Lipscomb, W. M. J. Chem. Phys. 1962, 37, 2872.
52. (c) Hoffmann, R. J. Chem. Phys. 1963, 39, 1397.
53. Ammeter, J. H., Burgi, H. B.; Thibeault, J. C.; Hoffmann, R. J. Am. Chem. Soc. 1978, 100, 3686.
54. (a) Summerville, R. H.; Hoffmann, R. J. Am. Chem. Soc. 1976, 98, 7240.
55. (b) Hay, P. J.; Thibeault, J. P.; Hoffmann, R. J Am.Chem. Soc. 1975, 97, 4884.
56. Baerends, E J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41.
57. Baerends, E. J. Ph.D. Thesis, Vrije Universiteit, Amsterdam, 1975.
58. Raveneck, W. In Algorithms and Applications on Vector and Parallel Computers; Rigie, H. J. J., Dekker, Th. J., van de Vorst, H. A., Eds.: Elsevier: Amsterdam, 1987.
59. Boerrigter, P. M.; te Velde, G., Baerends, E. J. Int. J. Quantum Chem. 1988, 33, 87.
60. (a) Snijders, G. J.; Baerends, E. J.; Vernooys, P. At. Nucl. Data Tables 1982, 26, 483
61. (b) Vernooys, P.; Snijders, G. J.; Baerends, E. J. Slater Type Basis Functions for the Whole Periodic System; Internal Report, Free University of Amsterdam: Amsterdam, 1981.
62. (a) Noodleman, L.; Norman, J. G. J. Chem Phys. 1979, 70, 4903.
63. (b) Noodleman, L. J. Chem. Phys 1981, 74, 5737.
64. (c) Noodleman, L.; Baerends, E. J. J. Am. Chem. Soc. 1984, 106, 2316.
65. Krijn, J.; Baerends, E. J. Fit functions in the HFS-method; Internal Report (in Dutch); Free University of Amsterdam: Amsterdam, 1984.
66. Wosko, S. D.; Wilk, L., Nusair, M. Can. J. Phys. 1990, 58, 1200.
67. (a) Mealli, C. J. Am. Chem. Soc. 1985, 107, 2245.
68. (b) Evans, D. G J Organomet. Chem. 1988, 352, 397.
69. Weast, R. C., Selby, S. M., Eds. CRC Handbook of Chemistry and Physics, 48th ed.; The Chemical Rubber Co.: Cleveland, OH, 1968; p F147.
70. Cotton, F. A.; Wilkinson, G.; Gauss, P. L. Basic Inorganic Chemistry, 3rd ed.; Wiley: Toronto, 1995; p 61.
71. (a) Harvey, P. D.; Shafiq, F.; Eisenberg, R. Inorg. Chem. 1994, 33, 3424.
72. (b) Perreault, D.; Drouin, M.; Michel, A.; Harvey, P. D. Inorg. Chem. 1993, 32, 1903
73. (c) Harvey, P. D.; Truong, K.; Aye, D. T.; Bandrauk, A. D. Inorg. Chem. 1994, 33, 2347
74. (d) Harvey, P. D.; Aye, K. T.: Isabel, E.; Hierso, K.; Lognot, I.; Mugnier, Y., Rochon, F. Inorg. Chem. 1994, 33, 5981.
75. (e) Harvey, P. D. Coord.Chem. Rev., in press.
76. See the numerous data contained in: Huber, K. P.; Herzberg, G. Molecular Spectra and Molecular Structure Constants of Diatomic Molecules; Van Nostrand: New York, 1979. See also the numerous examples cited in reference 30.
77. (a) Harvey, P. D.; Murtaza, Z. Inorg. Chem. 1993, 32, 4721.
78. (b) Harvey, P. D.; Dallinger, R. F.; Woodruff, W. H.; Gray, H. B. Inorg. Chem 1989, 28, 3057.
79. -1. The spectra are available in the Supporting Information.
80. e values are still undetermined because these measurements were accompanied by a photochemical transformation indicating the presence of a reaction. This system was not investigated further. The flash photolysis transient spectra are provided in the Supporting Information.
81. (b) A description of the optical setup used in these measurements is provided in one of our previous works: Harvey, P. D.; Gan, L.; Aubry, C Can. J Chem. 1990, 68, 2278.
82. 2+ in ethanol upon addition of acetate are available in the Supporting Information.
83. 1H NMR, UV-visible, and IR spectroscopy).
84. (a) Palmer, C. E A.; McMillin, D. R.; Kirmaier, C.; Holten, D. Inorg. Chem. 1987, 26, 3167.
85. (b) Stacey, E. M.; McMillin, D. R. Inorg. Chem. 1990, 29, 393
86. See for instance: (a) Tife, D. J.; Moore, W. M.; Morse, K. W. Inorg. Chem. 1984, 23, 1545. (b) Fife, J. D.; Moore, W. M.; Morse K. W. J. Am. Chem. Soc. 1985, 107, 7077. (c) Orchand, S. W., Kutal, C. Inorg. Chim. Acta 1982, 64, L95. (d) Grutsch, P. A.; Kutal, C. J. Am. Chem. Soc. 1979, 101, 4228.
87. See for instance: (a) Tife, D. J.; Moore, W. M.; Morse, K. W. Inorg. Chem. 1984, 23, 1545. (b) Fife, J. D.; Moore, W. M.; Morse K. W. J. Am. Chem. Soc. 1985, 107, 7077. (c) Orchand, S. W., Kutal, C. Inorg. Chim. Acta 1982, 64, L95. (d) Grutsch, P. A.; Kutal, C. J. Am. Chem. Soc. 1979, 101, 4228.
88. See for instance: (a) Tife, D. J.; Moore, W. M.; Morse, K. W. Inorg. Chem. 1984, 23, 1545. (b) Fife, J. D.; Moore, W. M.; Morse K. W. J. Am. Chem. Soc. 1985, 107, 7077. (c) Orchand, S. W., Kutal, C. Inorg. Chim. Acta 1982, 64, L95. (d) Grutsch, P. A.; Kutal, C. J. Am. Chem. Soc. 1979, 101, 4228.
89. See for instance: (a) Tife, D. J.; Moore, W. M.; Morse, K. W. Inorg. Chem. 1984, 23, 1545. (b) Fife, J. D.; Moore, W. M.; Morse K. W. J. Am. Chem. Soc. 1985, 107, 7077. (c) Orchand, S. W., Kutal, C. Inorg. Chim. Acta 1982, 64, L95. (d) Grutsch, P. A.; Kutal, C. J. Am. Chem. Soc. 1979, 101, 4228.
90. (e) Segers, D. P.; DeArmond, K. M.; Grutsch, P. A., Kutal, C Inorg. Chem. 1984, 23, 2874
91. (f) Grutsch, P. A.; Kutal, C. J. Am. Chem. Soc. 1977, 99, 6460.
92. (g) Liaw, B.; Orchard, S. W.; Kutal, C. Inorg. Chem. 1988, 27, 1311.
93. (h) Borsub, N.; Chang, S.-C.; Kutal, C. Inorg. Chem. 1982, 21, 538.
94. (i) Geoffroy, G. L.; Wrighton, M. S. Organometallic Photochemistry; Academic Press: New York, 1979; p 205-215 and the references therein.