Metals and hydrogen bonds

Dalton Transactions

Volumn , Issue 16, 2003, Pages 3145-3157

  Brammer, Lee ^a  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPLEXATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NUCLEAR PROPERTIES; SUPRAMOLECULAR CHEMISTRY; TRANSITION METALS;

ELECTRONEGATIVE P-BLOCK ELEMENTS; ELECTRONIC INTERACTION; METAL CLUSTER COMPLEX; MONONUCLEAR COMPLEX;

HYDROGEN BONDS;

EID: 1642386639     PISSN: 14779226     EISSN: None     Source Type: Journal    
DOI: 10.1039/b303006g     Document Type: Article

References (93)

1. (a) G. C. Pimental and A. L. McClellan, The Hydrogen Bond, W. H. Freeman, San Francisco, 1960
2. (b) G. C. Pimental and A. L. McClellan, The Hydrogen Bond: Recent Developments in Theory and Experiment, ed. P. Schuster, G. Zundel and C. Sandorfy, North-Holland, Amsterdam, 1976
3. (c) G. A. Jeffrey and W. Saenger, Hydrogen Bonding in Biological Structures, Springer-Verlag, Berlin, 1991
4. (d) G. A. Jeffrey, An Introduction to Hydrogen Bonding, Oxford University Press, Oxford, 1997
5. (e) G. R. Desiraju and T. Steiner, The Weak Hydrogen Bond, Oxford University Press, Oxford, 1999.
6. (a) L. Brammer, in Perspectives in Supramolecular Chemistry, Vol. 7 - Crystal Design: Structure and Function, ed. G. R. Desiraju, Wiley, Chichester, 2003, pp. 1-75
7. (b) L. Brammer, in Implications of Molecular and Materials Structure for New Technologies, ed. J. A. K. Howard, F. H. Allen and G. P. Shields, Kluwer Academic Publishers, Dordrecht, The Netherlands, 1999, pp. 197-210
8. (c) L. Brammer, D. Zhao, F. T. Ladipo and J. Braddock-Wilking, Acta Crystallogr., Sect. B, 1995, 51, 632
9. (d) L. M. Epstein and E. S. Shubina, Coord. Chem. Rev., 2002, 231, 165
10. (e) L. M. Epstein and E. S. Shubina, Metallorganich. Khim., 1992, 5, 61 (Organomet. Chem. USSR, 1992, 5, 1)
11. (f) A. J. Canty and G. van Koten, Acc. Chem. Res., 1995, 28, 406
12. (g) R. H. Crabtree, P. E. M. Siegbahn, O. Eisenstein, A. L. Rheingold and T. F. Koetzle, Acc. Chem. Res., 1996, 29, 348
13. (h) D. Braga and F. Grepioni, Acc. Chem. Res., 1997, 30, 81
14. (i) D. Braga, F. Grepioni and G. R. Desiraju, J. Organomet. Chem., 1997, 548, 33
15. (j) D. Braga and F. Grepioni, J. Chem. Soc., Dalton Trans., 1999, 1
16. (k) J. C. Mareque Rivas and L. Brammer, Coord. Chem. Rev., 1999, 183, 43
17. (l) A. D. Burrows, C.-W. Chan, M. M. Chowdry, J. E. McGrady and D. M. P. Mingos, Chem. Soc. Rev., 1995, 24, 329
18. (m) F. M. Raymo and J. F. Stoddart, Chem. Ber., 1996, 129, 981
19. (n) A. M. Beatty, CrystEngComm, 2001, 3, 243
20. (o) D. Braga, L. Maini, M. Polito, L. Scaccianoce, G. Cojazzi and F. Grepioni, Coord. Chem. Rev., 2001, 216-217, 225.
21. The breadth of impact of hydrogen bonds in inorganic chemistry can in part be gauged from the topics presented at the symposium, "Hydrogen Bonding in Inorganic and Organometallic Chemistry," American Chemical Society National Meeting, Boston, MA, August 1998 (L. Brammer and R. H. Crabtree, organizers).
22. (a) I. D. Dance in Perspectives in Supramolecular Chemistry : Vol 2, The Crystal as Supramolecular Entity, ed. G. R. Desiraju, Wiley, 1996
23. (b) see ref. 2a for illustration of the adapted Domain Model in a discussion of the design of hydrogen-bonded inorganic molecular crystals.
24. (a) M. A. Adams, K. Folting, J. C. Huffman and K. G. Caulton, Inorg. Chem., 1979, 18, 3020
25. (b) L. M. Epstein, E. S. Shubina, A. N. Krylov, A. Z. Kreindlin and M. I. Ribinskaya, J. Organomet. Chem., 1993, 447, 277
26. (c) S. A. Fairhurst, R. A. Henderson, D. L. Hughes, S. K. Ibrahim and C. J. Pickett, J. Chem. Soc., Chem. Commun., 1995, 1569
27. (d) E. Peris and R. H. Crabtree, J. Chem. Soc., Chem. Commun., 1995, 2179
28. (e) D. Braga, F. Grepioni, E. Tedesco, K. Biradha and G. R. Desiraju, Organometallics, 1996, 15, 2692.
29. T. Steiner, Angew. Chem., Int. Ed., 2002, 41, 48.
30. F. H. Allen and O. Kennard, Chem. Des. Autom. News, 1993, 8, 1
31. F. H. Allen and O. Kennard, Chem. Des. Autom. News, 1993, 8, 31.
32. (a) D. S. Trifan and R. Bacskai, J. Am. Chem. Soc., 1960, 82, 5010
33. (b) E. A. Hill and J. H. Richards, J. Am. Chem. Soc., 1961, 83, 3840
34. (c) E. A. Hill and J. H. Richards, J. Am. Chem. Soc., 1961, 83, 4216
35. (d) A. W. Baker and D. E. Bublitz, Spectrochim. Acta, 1965, 22, 1787.
36. (a) Ye. S. Shubina and L. M. Epstein, J. Mol. Struct., 1992, 65, 367
37. (b) E. S. Shubina, A. N. Krylov, A. Z. Kreindlin, M. I. Rybinskaya and L. M. Epstein, J. Mol. Struct., 1993, 301, 1
38. (c) E. S. Shubina, A. N. Krylov, A. Z. Kreindlin, M. I. Rybinskaya and L. M. Epstein, J. Mol. Struct., 1994, 465, 259.
39. (a) D. M. Roe, P. M. Bailey, K. Mosely and P. M. Maitlis, J. Chem. Soc., Chem. Commun., 1972, 1273
40. (b) G. Cerichelli, G. Illuminati, G. Ortaggi and A. M. Giuliani, J. Organomet. Chem., 1977, 127, 357
41. (c) R. S. Drago, M. S. Norazi, R. J. Klinger and C. S. Chamberlain, Inorg. Chem., 1979, 18, 1254.
42. (a) F. Calderazzo, G. Fachinetti, F. Marchetti and P. F. Zanazzi, J. Chem. Soc., Chem. Commun., 1981, 181
43. (b) F. Cecconi, C. A. Ghilardi, P. Innocenti, C. Mealli, S. Midollini and A. Orlandini, Inorg. Chem., 1984, 23, 922.
44. L. Brammer, J. M. Charnock, P. L. Goggin, R. J. Goodfellow, A. G. Orpen and T. F. Koetzle, J. Chem. Soc., Dalton Trans., 1991, 1789.
45. (a) G. J. Kubas, Metal Dihydrogen and σ-Bond Complexes: Structure, Theory and Reactivity, Kluwer Academic Publishers, New York, 2001
46. (b) R. H. Crabtree, Angew. Chem., Int. Ed. Engl., 1993, 32, 789
47. (c) M. Brookhart, M. L. H. Green and L.-L. Wong, Prog. Inorg. Chem., 1988, 36, 1-24.
48. C. M. Wehman-Ooyevaar, D. M. Grove, P. de Vaal, A. Dedieu and G. van Koten, Inorg. Chem., 1992, 31, 5484.
49. (a) K. Kitaura and K. Morokuma, Int. J. Quantum Chem., 1976, 10, 325
50. (b) K. Morokuma, Acc. Chem. Res., 1977, 10, 294
51. (c) W. Chen and M. S. Gordon, J. Phys. Chem., 1996, 100, 14316.
52. (a) P. Sherwood and L. Brammer, unpublished work
53. (b) calculations were conducted using the GAMESS-UK quantum chemistry package
54. (c) GAMESS-UK is a package of ab initio, programs written by M. F. Guest, J. H. van Lenthe, J. Kendrick, K. Schoffel and P. Sherwood, with contributions from R. D. Amos, R. J. Buenker, H. J. J. van Dam, M. Dupuis, N. C. Handy I. H. Hillier, P. J. Knowles, V. Bonacic-Koutecky, W. von Niessen, R. J. Harrisson, A. P. Rendell, V. R. Saunders, A. J. Stone and A. J. de Vries, The package is derived from the original GAMESS code due to M. Dupuis, D. Spangler and Wendoloski, NRCC Software Catalog, Vol. 1, Program No. QG01 (GAMESS), 1980
55. 4 hydrogen bonds is dominated by a dispersion contribution, with only a very small charge transfer component
56. (e) Kozelka J. Bergès J. Attias R. and Fraitag J. Angew. Chem., Int. Ed., 2000, 39, 198.
57. 6 metallocenes: see refs. 8, 9 and 10c.
58. 8 square-planar complexes: (a) see refs. 10e, 12 and 14
59. (b) I. C. M. Wehman-Ooyevaar, D. M. Grove, H. Kooijman, P. van der Sluis, A. L. Spek and G. van Koten, J. Am. Chem. Soc., 1992, 114, 9916
60. (c) J. M. Casas, L. R. Falvello, J. Forniés, A. Martín and A. J. Welch, Inorg. Chem., 1996, 35, 6009.
61. 2 complexes: S. G. Kazarian, P. A. Hamley and M. Poliakoff, J. Am. Chem. Soc., 1993, 115, 9069
62. (b) L. E. Vinogradova, L. A. Leites, I. T. Chizhevskii, N. T. Rastova, N. E. Kolobova, A. I. Yanovskii and Yu. T. Struchkov, Metallorg. Khim., 1989, 2, 769.
63. 10 tetrahedral complexes: (a) see ref 11
64. (b) L. Brammer, M. C. McCann, R. M. Bullock, R. K. McMullan and P. Sherwood, Organometallics, 1992, 11, 2339
65. (c) L. Brammer and D. Zhao, Organometallics, 1994, 13, 1545
66. (d) D. Zhao, F. T. Ladipo, J. Braddock-Wilking, L. Brammer and P. Sherwood, Organometallics, 1996, 15, 1441
67. (e) L. Brammer, J. C. Mareque Rivas and D. Zhao, Inorg. Chem., 1998, 37, 5512
68. (f) L. Brammer, J. C. Mareque Rivas and C. D. Spilling, J. Organomet. Chem., 2000, 609, 36.
69. D. Braga, F. Grepioni, E. Tedesco, K. Biradha, and G. R. Desiraju, Organometallics, 1997, 16, 1846.
70. Y. Gao, O. Eisenstein and R. H. Crabtree, Inorg. Chim. Acta, 1997, 254, 105.
71. A. V. Iogansen, G. A. Kurkchi, V. M. Furman, V. P. Glazunov and S. E. Odinokov, Zh. Prikl. Spektrosk., 1980, 33, 460.
72. -1.
73. (b) I. Alkorta, I. Rozas and J. Elguero, J. Mol. Struct. (THEOCHEM), 2001, 537, 139.
74. (a) This approach to modelling reaction pathways using a sequence of static crystal structures is known as the Structure Correlation Principle.
75. (b) H.-B. Bürgi and J. D. Dunitz, Acc. Chem. Res., 1983, 16, 153
76. (c) H.-B. Bürgi and J. D. Dunitz, Structure Correlation, ed. H.-B. Bürgi and J. D. Dunitz, VCH, Weinheim, Germany, 1993.
77. Neutron diffraction study at 123 K: L. Brammer, M. C. McCann, R. M. Bullock and R. K. McMullan, unpublished work.; See also ref 20b for structure at 15K.
78. (a) M. B. Smith and R. Bau, J. Am. Chem. Soc., 95, 2388
79. (b) electron diffraction study: E. A. MacNeil and F. R. Scholer, J. Am. Chem. Soc., 1977, 99, 6243
80. (c) L. S. Leigh and K. S. Whitmire, Acta Crystallogr., Sect. C, 1989, 45, 210.
81. S. S. Kristjánsdóttir, J. R. Norton, A. Moroz, R. L. Sweany and S. L. Whittenburg, Organometallics, 1991, 10, 2357.
82. F. T. Ladipo, M. Kooti and J. S. Merola, Inorg. Chem., 1993, 32, 1681.
83. A. N. Vedernikov and K. G. Caulton, Chem. Commun., 2003, 358.
84. T. Hascall, M.-H. Baik, B. M. Bridgewater, J. H. Shin, D. G. Churchill, R. A. Friesner and G. Parkin, Chem. Commun., 2002, 2644.
85. (a) For resolution of a recent controversy in this area, see refs. 32b-d
86. (b) F. A. Cotton, L. M. Daniels, G. T. Jordan and C. A. Murillo, Chem. Commun., 1997, 1673
87. (c) M. Mascal, Chem. Commun., 1998, 303
88. (d) T. Steiner and G. R. Desiraju, Chem. Commun., 1998, 891.
89. (a) Y.-J. Kim, K. Osakada, A. Takenaka and A. Yamamoto, J. Am. Chem. Soc., 1990, 112, 1096
90. (b) G. Bruno, S. Lanza and S. Nicolo, Acta Crystallogr., Sect. C, 1990, 46, 765
91. (c) T. Yoshida, K. Tani, T. Yamagata, Y. Tatsuno and T. Saito, J. Chem. Soc., Chem. Commun., 1990, 292
92. (d) J. Dehand, J. Fischer, M. Pfeffer, A. Mitschler and M. Zinsius, Inorg. Chem., 1976, 15, 2675.
93. D. Braga, F. Grepioni, E. Tedesco, K. Biradha and G. R. Desiraju, Organometallics, 1997, 16, 1846.