Synthesis and Characterization of Hypoelectronic Rhenaboranes. Analysis of the Geometric and Electronic Structures of Species Following Neither Borane nor Metal Cluster Electron-Counting Paradigms

Journal of the American Chemical Society

Volumn 126, Issue 10, 2004, Pages 3203-3217

  Guennic, Boris Le ^a   Jiao, Haijun ^a,d   Kahlal, Samia ^a   Saillard, Jean Yves ^a   Halet, Jean François ^a   Ghosh, Sundargopal ^b   Shang, Maoyu ^b   Beatty, Alicia M ^b   Rheingold, Arnold L ^c   Fehlner, Thomas P ^b  

^a UNIVERSITÉ DE RENNES 1   (France)

^b UNIVERSITY OF NOTRE DAME   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d UNIVERSITY OF ROSTOCK   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BORON COMPOUNDS; CHEMICAL BONDS; NUCLEATION; SYNTHESIS (CHEMICAL);

BORANE CHEMISTRY; CHEMICAL SHIFTS;

ELECTRONIC STRUCTURE;

BORANE DERIVATIVE; BORON; METAL COMPLEX; RHENABORANE; RHENIUM; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTROCHEMICAL ANALYSIS; GEOMETRY; METAL BINDING; MOLECULAR STABILITY; REACTION ANALYSIS; STRUCTURE ANALYSIS;

EID: 12144289106     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja039770b     Document Type: Article

References (108)

1. Lipscomb, W. N. Boron Hydrides; Benjamin: New York, 1963.
2. Williams, R. E. Inorg. Chem. 1971, 10, 210.
3. Shriver, D. F., Kaesz, H. D., Adams, R. D., Eds. The Chemistry of Metal Cluster Complexes; VCH: New York, 1990.
4. Wade, K. Electron Deficient Compounds; Nelson: London, 1971.
5. Wade, K. Inorg. Nucl. Chem. Lett. 1972, 8, 559.
6. Wade, K. New Scientist 1974, 62, 615.
7. Mingos, D. M. P. Nature (London) Phys. Sci. 1972, 236, 99.
8. Mingos, D. M. P.; Johnston, R. L. Struct. Bonding 1987, 68, 29.
9. Mingos, D. M. P.; Wales, D. J. Introduction to Cluster Chemistry; Prentice Hall: New York, 1990.
10. Jemmis, E. D.; Balakrishnarajan, M. M.; Pancharatna, P. D. J. Am. Chem. Soc. 2001, 123, 4313.
11. Woolley, R. G. Inorg. Chem. 1985, 24, 3519.
12. Woolley, R. G. Inorg. Chem. 1985, 24, 3525.
13. Kennedy, J. D. Prog. Inorg. Chem. 1984, 32, 519.
14. Kennedy, J. D. Prog. Inorg. Chem. 1986, 34, 211.
15. Grimes, R. N. In Metal Interactions with Boron Clusters; Grimes, R. N., Ed.; Plenum: New York, 1982; p 269.
16. Housecroft, C. E. Coord. Chem. Rev. 1995, 143, 297.
17. Barton, L.; Srivastava, D. K. In Comprehensive Organometallic Chemistry II; Abel, E., Stone, F. G. A., Wilkinson, G., Eds.; Pergamon: New York, 1995; Vol. 1.
18. Pipal, J. R.; Grimes, R. N. Inorg. Chem. 1979, 18, 257.
19. Bowser, J. R.; Bonny, A.; Pipal, J. R.; Grimes, R. N. J. Am. Chem. Soc. 1979, 101, 6229.
20. Cox, D. N.; Mingos, D. M. P.; Hoffmann, R. J. Chem. Soc., Dalton Trans. 1981, 1788.
21. O'Neill, M. E.; Wade, K. Inorg. Chem. 1982, 21, 461.
22. Kennedy, J. D. In The Borane, Carborane, Carbocation Continuum; Casanova, J., Ed.; Wiley: New York, 1998; p 85.
23. Kennedy, J. D. Inorg. Chem. 1986, 25, 111.
24. Baker, R. T. Inorg. Chem. 1986, 25, 109.
25. Johnston, R. L.; Mingos, D. M. P. Inorg. Chem. 1986, 25, 3321.
26. Johnston, R. L.; Mingos, D. M. P.; Sherwood, P. New J. Chem. 1991, 15, 831.
27. Fehlner, T. P. J. Chem. Soc., Dalton Trans. 1998, 1525.
28. Weller, A. S.; Aldridge, S.; Fehlner, T. P. Inorg. Chim. Acta 1999, 289, 85.
29. King, R. B. Inorg. Chem. 1999, 38, 5151.
30. King, R. B.; Silaghi-Dumitrescu, I.; Kun, A. Inorg. Chem. 2001, 40, 2450.
31. King, R. B. Inorg. Chem. 2001, 40, 2699.
32. Sevov, S. C.; Corbett, J. D. Inorg. Chem. 1991, 30, 4875.
33. Fehlner, T. P. Organometallics 2000, 19, 2643.
34. Coons, D. E.; Gaines, D. F. Inorg. Chem. 1985, 24, 3774.
35. Beckett, M. A.; Greenwood, N. N.; Kennedy, J. D.; Thornton-Pett, M. J. Chem. Soc., Dalton Trans. 1985, 1119.
36. Weller, A. S.; Shang, M.; Fehlner, T. P. Chem. Commun. 1998, 1787.
37. Weller, A. S.; Shang, M.; Fehlner, T. P. Organometallics 1999, 18, 53.
38. Ghosh, S.; Lei, X.; Shang, M.; Fehlner, T. P. Inorg. Chem. 2000, 39, 5373.
39. Ghosh, S.; Shang, M.; Li, Y.; Fehlner, T. P. Angew. Chem., Int. Ed. 2001, 40, 1125.
40. Ghosh, S.; Rheingold, A. L.; Fehlner, T. P. Chem. Commun. 2001, 895.
41. Ghosh, S.; Beatty, A. M.; Fehlner, T. P. J. Am. Chem. Soc. 2001, 123, 9188.
42. Wadepohl, H. Angew. Chem., Int. Ed. 2002, 41, 4220.
43. Poli, R.; Wilkinson, G.; Moetevailli, M.; Hursthouse, M. B. J. Chem. Soc., Dalton Trans. 1985, 931.
44. Williams, R. E. In The Borane, Carborane, Carbocation Continuum; Casanova, J., Ed.; Wiley-Interscience: New York, 1997; p 3.
45. Rath, N. P.; Fehlner, T. P. J. Am. Chem. Soc. 1988, 110, 5345.
46. Fehlner, T. P.; Czech, P. T.; Fenske, R. F. Inorg. Chem. 1990, 29, 3103.
47. Fehlner, T. P. Collect. Czech. Chem. Commun. 1999, 64, 767.
48. Shore, S. G.; Raganini, D.; Smith, R. L.; Cottrell, C. E.; Fehlner, T. P. Inorg. Chem. 1979, 18, 670.
49. Lei, X.; Shang, M.; Fehlner, T. P. J. Am. Chem. Soc. 1999, 121, 1275.
50. Lei, X.; Bandyopadhyay, A. K.; Shang, M.; Fehlner, T. P. Organometallics 1999, 18, 2294.
51. Hong, F.-E.; Eigenbrot, C. W.; Fehlner, T. P. J. Am. Chem. Soc. 1989, 111, 949.
52. Aldridge, S.; Hashimoto, H.; Kawamura, K.; Shang, M.; Fehlner, T. P. Inorg. Chem. 1998, 37, 928.
53. Aldridge, S.; Shang, M.; Fehlner, T. P. J. Am. Chem. Soc. 1998, 120, 2586.
54. Lei, X.; Shang, M.; Fehlner, T. P. Chem. Eur. J. 2000, 6, 2653.
55. Cotton, F. A.; Walton, R. A. Multiple Bonds Between Metal Atoms; Wiley: New York, 1982.
56. Kawamura, K.; Shang, M.; Wiest, O.; Fehlner, T. P. Inorg. Chem. 1998, 37, 608.
57. Herberich, G. E. In Comprehensive Organometallic Chemistry II; Abel, E., Stone, F. G. A., Wilkinson, G., Eds.; Pergamon Press: Oxford, 1995; Vol. 1, p 197.
58. Jemmis, E. D.; Reddy, A. C. Organometallics 1988, 7, 1561.
59. Ghosh, S.; Shang, M.; Fehlner, T. P. J. Am. Chem. Soc. 1999, 121, 7451.
60. Albright, T. A.; Burdett, J. K.; Whangbo, H.-H. Orbital Interactions in Chemistry; Wiley: New York, 1985.
61. McKee, M. L.; Wang, Z.-X.; Schleyer, P. v. R. J. Am. Chem. Soc. 2000, 122, 4781.
62. Bühl, M.; Schleyer, P. v. R. Angew Chem., Int. Ed. Engl. 1990, 29, 886.
63. Bühl, M.; Schleyer, P. v. R. J. Am. Chem. Soc. 1992, 114, 477.
64. Bühl, M.; Gauss, J.; Hofmann, M.; Schleyer, P. v. R. J. Am. Chem. Soc. 1994, 115, 12385.
65. Bausch, J. W.; Prakash, G. K. S.; Bühl, M.; Schleyer, P. v. R.; Williams, R. E. Inorg. Chem. 1992, 31, 3060.
66. Onak, T.; Tran, D.; Tseng, J.; Diaz, M.; Arias, J.; Herrera, S. J. Am. Chem. Soc. 1993, 115, 9210.
67. Onak, T.; Tseng, J.; Diaz, M.; Tran, D.; Arias, J.; Herrera, S.; Brown, D. Inorg. Chem. 1993, 32, 487.
68. Shedlow, A. M.; Kadlecek, D. E.; Clapper, J. C.; Rathmill, S. E.; Carroll, P. J.; Sneddon, L. G. J. Am. Chem. Soc. 2003, 125, 200.
69. Koch, W.; Holthauser, M. C. A Chemist's Guide to Density Functional Theory; Wiley-VCH: Weinheim, Germany, 2000.
70. Hoffmann, R. Science 1981, 211, 995.
71. Hoffmann, R.; Lipscomb, W. N. J. Chem. Phys. 1962, 36, 2179.
72. Jemmis, E. D. J. Am. Chem. Soc. 1982, 104, 7017.
73. Jemmis, E. D.; Schleyer, P. v. R. J. Am. Chem. Soc. 1982, 104, 4781.
74. Lauher, J. W.; Elian, M.; Summerville, R. H.; Hoffmann, R. J. Am. Chem. Soc. 1976, 98, 3219.
75. Reddy, A. C.; Jemmis, E. D.; Scherer, O. J.; Winter, R.; Heckmann, G.; Wolmershäuser, G. Organometallics 1992, 11, 3894.
76. Tremel, W.; Hoffmann, R.; Kertesz, M. J. Am. Chem. Soc. 1989, 111, 2030.
77. Grimes, R. N. Coord. Chem. Rev. 1979, 28, 47.
78. Rudolph, R. W. Acc. Chem. Res. 1976, 9, 446.
79. Cotton, F. A.; Walton, R. A. Multiple Bonds Between Metal Atoms; Wiley: New York, 1983.
80. Sullivan, B. P.; Leyden, R. N.; Hawthorne, M. F. J. Am. Chem. Soc. 1975, 97, 456.
81. Leyden, R. N.; Sullivan, B. P.; Baker, R. T.; Hawthorne, M. F. J. Am. Chem. Soc. 1978, 100, 3758.
82. Shriver, D. F.; Drezdzon, M. A. The Manipulation of Air-Sensitive Compounds, 2nd ed.; Wiley-Interscience: New York, 1986.
83. Ghosh, S.; Shang, M.; Fehlner, T. P. J. Organomet. Chem. 2000, 614-15, 92.
84. Hoffmann, R. J. Chem. Phys. 1963, 39, 1397.
85. Mealli, C.; Proserpio, D. M. J. Chem. Educ. 1990, 67.
86. Amsterdam Density Functional program, release 2000.02; Vrije Universiteit: Amsterdam, 2000.
87. Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41.
88. Te Velde, G.; Baerends, E. J. J. Comput. Phys. 1992, 99, 84.
89. Fonseca Guerra, C.; Snijders, J. G.; te Velde, G.; Baerends, E. J. J. Theor. Chem. Acc. 1998, 99, 391.
90. 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.
91. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
92. Becke, A. D. J. Chem. Phys. 1986, 84, 4524.
93. Becke, A. D. Phys. Rev. A 1986, 38, 3098.
94. Perdew, J. P. Phys. Rev. B 1986, 33, 8822.
95. Versluis, L.; Ziegler, T. J. J. Chem. Phys. 1988, 88, 322.
96. van Lethe, E.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1993, 99, 4597.
97. van Lethe, E.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1994, 101, 9783.
98. van Lethe, E.; van Leeuwen, R.; Baerends, E. J.; Snijders, J. G. Int. J. Quantum Chem. 1996, 57, 281.
99. London, F. J. Phys. Radium 1937, 27, 397.
100. Ditchfield, R. Mol. Phys. 1974, 27, 789.
101. Wolinski, K.; Hinton, J. F.; Pulay, P. J. Am. Chem. Soc. 1990, 112, 8251.
102. Friedrich, K.; Seifert, G.; Grossmann, G. Z. Phys. D 1990, 17, 45.
103. Schreckenbach, G.; Ziegler, T. J. J. Phys. Chem. 1995, 99, 606.
104. Schreckenbach, G.; Ziegler, T. J. Int. J. Quantum Chem. 1997, 61, 899.
105. Schreckenbach, G.; Ziegler, T. J. Int. J. Quantum Chem. 1996, 60, 753.
106. Wolff, S. K.; Ziegler, T. J. J. Chem. Phys. 1998, 109, 895.
107. Wolff, S. K.; Ziegler, T. J.; van Lethe, E.; Baerends, E. J. J. Chem. Phys. 1999, 110, 7689.
108. Frisch, M. J. T., G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, Jr., J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Danieis, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.5; Gaussian, Inc.: Pittsburgh, PA, 1998.