Structure and coordinate bonding nature of the manganese-σ-borane complexes

Journal of Organometallic Chemistry

Volumn 692, Issue 10, 2007, Pages 1997-2005

  Pandey, Krishna K ^a  

^a DEVI AHILYA UNIVERSITY   (India)

Author keywords

Bonding; Borane complexes; Density functional calculations; Manganese; Structure

Indexed keywords

BONDING; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MOLECULAR STRUCTURE;

BORANE COMPLEXES; ELECTRON BOND; METAL-LIGAND INTERACTIONS;

MANGANESE COMPOUNDS;

EID: 33947598744     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2007.01.015     Document Type: Article

References (81)

1. Kubas G.J. In: Fackler J.P. (Ed). Metal Dihydrogen and σ-Bond Complexes (2001), Kluwer Academic/Plenum Publishers, New York
2. Kubas G.J. Catal. Lett. 105 (2005) 79
3. Kubas G.J., Ryan R.R., Swanson B.L., Vergamini P.J., and Wasserman H.J. J. Am. Chem. Soc. 106 (1984) 451
4. Kubas G.J. Acc. Chem. Res. 21 (1988) 120
5. Crabtree R.H. Acc. Chem. Res. 23 (1990) 95
6. Jessop P.G., and Morris R.H. Coord. Chem. Rev. 121 (1992) 155
7. Heinekey D.M., and Oldham Jr. W.J. Chem. Rev. 93 (1993) 913
8. Crabtree R.H. Angew. Chem., Int. Ed. Engl. 32 (1993) 789
9. Esteruelas M.A., and Oro L.A. Chem. Rev. 98 (1998) 577
10. Tomas J., Lledós A., and Jean Y. Organometallics 17 (1998) 190
11. Frenking G., and Fröhlich N. Chem. Rev. 100 (2000) 717
12. Maseras F., and Lledós A. Chem. Rev. 100 (2000) 601
13. Schubert U. Adv. Organomet. Chem. 30 (1990) 151
14. Corey J.Y., Elder M., and Braddock-Wilking J. Chem. Rev. 99 (1999) 175
15. Sabo-Etienne S., and Chaudret B. Coord. Chem. Rev. 178 (1998) 381
16. Delpech F., Sabo-Etienne S., Daran J.-C., Daran B., Chaudret B., Hussein K., Marsden C.J., and Barthelat J.-C. J. Am. Chem. Soc. 121 (1999) 6668
17. Atheaux I., Donnadieu B., Rodriguez V., Sabo-Etienne S., Chaudret B., Hussein K., and Barthelat J.-C. J. Am. Chem. Soc. 122 (2000) 5664
18. Yardy N.M., Lemke F.R., and Brammer L. Organometallics 20 (2001) 5670
19. Nikonov G.I. Organometallics 22 (2003) 1597
20. Lichtenberger D.I. Organometallics 22 (2003) 1599
21. Dubberley S.R., Ignatov S.K., Rees N.H., Razuvaev A.G., Mountford P., and Nikonov G.I. J. Am. Chem. Soc. 125 (2003) 642
22. Nikonov G.I. Adv. Organomet. Chem. 53 (2005) 217 and references therein
23. Hartwig J.F., Muhoro C.N., He X., Eisenstein O., Bosque R., and Maseras F. J. Am. Chem. Soc. 118 (1996) 10936
24. Muhoro C.N., and Hartwig J.F. Angew. Chem., Int. Ed. Engl. 36 (1997) 1510
25. Muhoro C.N., He X., and Hartwig J.F. J. Am. Chem. Soc. 121 (1999) 5033
26. Schlecht S., and Hartwig J.F. J. Am. Chem. Soc. 122 (2000) 9435
27. Macias R., Rath N.P., and Barton L. Angew. Chem., Int. Ed. 38 (1999) 162
28. Shimoi M., Nagai S., Ichikawa M., Kawano Y., Katoh K., Uruichi M., and Ogino H. J. Am. Chem. Soc. 121 (1999) 11704
29. Montiel-Palma V., Lumbierres M., Donnadieu B., Sabo-Etienne S., and Chaudret B. J. Am. Chem. Soc. 124 (2002) 5624
30. Lachaize S., Essalah K., Montiel-Palma V., Vendier L., Chaudret B., Barthelat J.-C., and Saba-Etienne S. Organometallics 24 (2005) 2935
31. Liu D., Lam K.C., and Lin Z. Organometallics 22 (2003) 2827
32. Lam W.H., Shimada S., Batsanov A.S., Lin Z., Marder T.B., Cowan J.A., HcMason J.A.K., and McIntyre G.J. Organometallics 22 (2003) 4557
33. Hartwig J.F., and Muhoro C.N. Organometallics 19 (2000) 30
34. Hay P.J. J. Am. Chem. Soc. 109 (1987) 705
35. Eckart J., Kubas G.J., Hall J.H., Hay P.J., and Boyle C.M. J. Am. Chem. Soc. 112 (1990) 2324
36. Haynes G.R., Martin R.L., and Hay P.J. J. Am. Chem. Soc. 114 (1992) 28
37. Dapprich S., and Frenking G. Angew. Chem., Int. Ed. Engl. 34 (1995) 354
38. Li J., and Ziegler T. Organometallics 15 (1996) 3844
39. Li J., Dickson R.M., and Ziegler T. J. Am. Chem. Soc. 117 (1995) 11482
40. Jarid A., Moreno M., Lledós A., Lluch J.M., and Bertrán J. J. Am. Chem. Soc. 117 (1995) 1069
41. Fan M.F., Jia G., and Lin Z. Z.J. Am. Chem. Soc. 118 (1996) 9915
42. Fan M.F., and Lin Z. Organometallics 16 (1997) 494
43. Maseras F., and Lledós A. Organometallics 15 (1996) 1216
44. Hussein K., Marsden C.J., Barthelat J.-C., Rodriguez V., Conejero S., Saba-Etienne S., Donnadieu B., and Chaudret B. Chem. Commun. (1999) 1315
45. Pandey K.K. Inorg. Chem. 40 (2001) 5092
46. Antinolo A., Carrillo-Hermosilla F., Fernandez-Baeza J., Garcia-Yuste S., Otero A., Rodriguez A.M., Sanchez-Prada J., Villasenor E., Gelabert R., Moreno M., Lluch J.M., and Lledós A. Organometallics 19 (2000) 3654
47. Demachy I., Esteruelas M.A., Jean Y., Lledós A., Maseras F., Oro L.A., Valero C., and Volatron F. J. Am. Chem. Soc. 118 (1996) 8388
48. Diefenbach A., Bickelhaupt M.B., and Frenking G. J. Am. Chem. Soc. 122 (2000) 6449
49. Uddin J., and Frenking G. J. Am. Chem. Soc. 123 (2001) 1683
50. Pandey K.K., Lein M., and Frenking G. J. Am. Chem. Soc. 125 (2003) 1660
51. Pandey K.K. Inorg. Chem. 42 (2003) 6764
52. Frenking G., Wichmann K., Froehlich N., Loschen C., Lein M., Frunzke J., and Rayon V.M. Coord. Chem. Rev. 238-239 (2003) 55
53. Lammertsma K., and Ohwada T. J. Am. Chem. Soc. 118 (1996) 7247
54. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
55. Becke D. J. Chem. Phys. 98 (1993) 5648
56. Raghavachari K., Binkley J.S., Seeger R., and Pople J.A. J. Chem. Phys. 72 (1980) 650
57. McClean A.D., and Chandler G.S. J. Chem. Phys. 72 (1980) 5639
58. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899
59. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zarzewski B.G., Montgomery J.A., Startmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Straiin M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochteriski J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Salvador P., Dannenberg J.J., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Baboul A.G., 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., Challacombe M., Gill P.M.W., Johnson B.G., Chen W., Wong M.W., Andres J.L., Gonzalez C., Head-Gordon M., Replogle E.S., and Pople J.A. gaussian 98 (1998), Gussain, Inc., Pittsburgh, PA
60. G. Schaftenaar, molden 3.4 CAOSCAMM Center, The Netherlands, 1998.
61. Becke A.D. Phys. Rev. A 38 (1988) 3098
62. Perdew J.P. Phys. Rev. B 33 (1986) 8822
63. Chang C., Pelissier M., and Durand Ph. Phys. Scr. 34 (1986) 394
64. Heully J.-L., Lindgren I., Lindroth E., Lundquist S., and Martensson-Pendrill A.-M. J. Phys. B 19 (1986) 2799
65. van Lenthe E., Baerends E.J., and Snijders J.G. J. Chem. Phys. 99 (1993) 4597
66. van Lenthe E., Baerends E.J., and Snijders J.G. J. Chem. Phys. 105 (1996) 6505
67. van Lenthe E., van Leeuwen R., Baerends E.J., and Snijders J.G. Int. J. Quantum Chem. 57 (1996) 281
68. van Lenthe E., Ehlers A.E., and Baerends E.J. J. Chem. Phys. 110 (1999) 8943
69. Snijders J.G., Baerends E.J., and Vernooijs P. At. Data Nucl. Data Tables 26 (1982) 483
70. Baerends E.J., Ellis D.E., and Ros P. Chem. Phys. 2 (1973) 41
71. J. Krijn, E.J. Baerends, Fit Functions in the HFS-Method, Internal Report (in Dutch), Vrije Universiteit Amsterdam, The Netherlands, 1984.
72. E.J. Baerends, J.A. Autschbach, A. Berces, C. Bo, P.M. Boerrigter, L. Cavallo, D.P. Chong, L. Deng, R.M. Dickson, D.E. Ellis, 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, G. van Kessel, F. Kootstra, E. van Lenthe, V.P Osinga, S. Patchkovskii, P.H.T. Philipsen, ADF 2004, 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, E. Wezenbeek, G. Wiesenekker, S.K. Wolff, T.K. Woo, T. Ziegler, Scientific Computing & Modelling NV, The Netherlands.
73. Morokuma K. J. Chem. Phys. 55 (1971) 1236
74. Morokuma K. Acc. Chem. Res. 10 (1977) 294
75. Ziegler T., and Rauk A. Theor. Chim. Acta 46 (1977) 1
76. Ziegler T., and Rauk A. Inorg. Chem. 18 (1979) 1558
77. Ziegler T., and Rauk A. Inorg. Chem. 18 (1979) 1755
78. Wells A.F. Structural Inorganic Chemistry. 5th ed. (1984), Clarendon, Oxford
79. Pauling L. The Nature of the Chemical Bond. 3rd ed. (1960), Cornell University Press, Ithaca, NY
80. Pauling L. The Nature of the Chemical Bond. 3rd ed. (1960), Cornell University Press, New York p. 239, The relationship of bond order to length is given by dn = dl - 0.71 log n, where n is the bond order, dl and dn are the lengths of bonds with bond order l and n, respectively
81. Wiberg K.A. Tetrahedron 24 (1968) 1083