A theoretical study of 18+δ complexes

Journal of Molecular Structure: THEOCHEM

Volumn 726, Issue 1-3, 2005, Pages 149-154

  Srinivas, Gantasala N ^a   Lu, Yike ^a   Schwartz, M ^a  

^a UNIVERSITY OF NORTH TEXAS   (United States)

Author keywords

DFT; IR frequencies; Natural charges; Organomeallic complexes

Indexed keywords

EID: 22744451026     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.04.004     Document Type: Article

References (63)

1. D.R. Tyler W.C. Trogler Organometallic Radical Processes 1990 Elsevier New York 338
2. F. Mao, C.E. Philbin, T.J.R. Weakley, and D.R. Tyler Organometallics 9 1990 1510
3. A.E. Stiegman, and D.R. Tyler Comments Inor. Chem. 5 1986 215
4. D. Astruc New. J. Chem. 16 1992 305
5. W.C. Watkins, D.H. Macartney, and M.C. Baird J. Organomet. Chem. 377 1989 C52
6. M.C. Baird Chem. Rev. 88 1988 1217
7. A.S. Goldman, and D.R. Tyler J. Am. Chem. Soc. 106 1984 4066
8. N.D. Silavwe, A.S. Goldman, R. Rittler, and D.R. Tyler Inorg. Chem. 28 1989 1231
9. M.W. Kokkes, W.G.J. deLange, D.J. Stufkens, and A. Oskam J. Organomet. Chem. 294 1985 59
10. J.W. Herschberger, R.J. Klingler, and J.K. Kochi J. Am. Chem. Soc. 105 1983 61
11. J.W. Herschberger, R.J. Klinger, and J.K. Kochi J. Am. Chem. Soc. 104 1982 3034
12. D.P. Summers, J.C. Luong, and M.S. Wrighton J. Am. Chem. Soc. 103 1981 5238
13. A. Avey, T.J.R. Weakley, and D.R. Tyler J. Am. Chem. Soc. 115 1993 7706
14. A.S. Goldman, and D.R. Tyler Inorg. Chem. 26 1987 253
15. A.E. Stiegman, and D.R. Tyler Coord. Chem. Rev. 63 1985 217
16. D.R. Tyler, and F. Mao Coord. Chem. Rev. 97 1990 119
17. A. Fox, J. Malito, and A. Poë J. Chem. Soc., Chem. Commun. 1981 1052
18. F. Mao, D.R. Tyler, and D. Kerzler J. Am. Chem. Soc. 111 1989 130
19. D. Fenske Chem. Ber. 112 1979 363
20. D. Fenske Angew. Chem. Int. Ed. Engl. 15 1976 381
21. K. Yang, S.G. Bott, and M.G. Richmond Organometallics 14 1995 2387
22. K. Yang, S.G. Bott, and M.G. Richmond Organometallics 13 1994 3788
23. K. Yang, J.M. Smith, S.G. Bott, and M.G. Richmond Organometallics 12 1993 4779
24. K. Yang, S.G. Bott, and M.G. Richmond Organometallics 13 1994 3767
25. R. Meyer, D.M. Schut, K.J. Keana, and D.R. Tyler Inorg. Chim. Acta 240 1995 405
26. W. Bensmann, and D. Fenske Angew. Chem. Int. Ed. Engl. 18 1979 677
27. D. Fenske, and A. Christidis Angew. Chem. Int. Ed. Engl. 20 1981 129
28. A. Klein, C. Vogler, and W. Kaim Organometallics 15 1996 236
29. D.M. Schut, K.J. Keana, D.R. Tyler, and P.H. Rieger J. Am. Chem. Soc. 117 1995 8939
30. F. Mao, D.R. Tyler, A.L. Rieger, and P.H. Rieger J. Chem. Soc. Faraday Trans. 87 1991 3113
31. F. Mao, D.R. Tyler, M.R.M. Bruce, A.E. Bruce, A.L. Riegee, and P.H. Rieger J. Am. Chem. Soc. 114 1992 6418
32. D.A. Braden, and D.R. Tyler Organometallics 19 2000 3762
33. G.N. Srinivas, L. Yu, and M. Schwartz J. Organomet. Chem. 677 2003 96
34. F. Mao, S.K. Sur, and D.R. Tyler J. Am. Chem. Soc. 111 1989 7627
35. F. Mao, S.K. Sur, and D.R. Tyler Organometallics 10 1991 419
36. R. Gross, and W. Kaim Inorg. Chem. 25 1986 498
37. W. Kaim, and S. Kohlmann Inorg. Chem. 25 1986 3442
38. W. Kaim Inorg. Chem. 23 1984 504
39. W. Kaim J. Organomet. Chem. 262 1984 171
40. A. Alberti, and A. Hudson J. Organomet. Chem. 248 1983 199
41. A. Alegria, O. Lozada, H. Rivera, and J. Sánchez J. Organomet. Chem. 281 1985 229
42. M. Lacoste, and D. Astruc J. Chem. Soc., Chem. Commun. 1987 667
43. M. Lacoste, H. Rabaa, D. Astruc, A. LeBeuze, J.-Y. Saillard, G. Précigoux, C. Courseille, N. Ardoin, and W. Bowyer Organometallics 8 1989 2233
44. A.D. Becke J. Chem. Phys. 98 1993 5648
45. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B. 37 1988 785
46. S.H. Vosko, L. Wilk, and M. Nusair Can. J. Phys. 58 1980 1200
47. Basis sets were obtained from the extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland WA 99352, USA, and funded by the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller, Karen Schuchardt, or Don Jones for additional information.
48. W.J. Stevens, H. Basch, and M. Krauss J. Chem. Phys. 81 1984 6026
49. W.J. Stevens, M. Krauss, H. Basch, and P.G. Jasien Can. J. Chem. 70 1982 612
50. T.R. Cundari, and W.J. Stevens J. Chem. Phys. 98 1993 5555
51. W.J. Hehre, L. Radom, P.V.R. Schleyer, and J.A. Pople Ab Initio Molecular Orbital Theory 1986 Wiley New York
52. W.J. Hehre, R. Ditchfield, and J.A. Pople J. Chem. Phys. 56 1972 2257
53. J.A. Pople, K. Raghavachari, H.B. Schlegel, and J.S. Binkley Int. J. Quantum Chem. Symp. 13 1979 255
54. gaussian 98, Revision A.9, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian, Inc., Pittsburgh PA, 1998.
55. L. Onsager J. Am. Chem. Soc. 58 1936 1486
56. M.W. Wong, M.J. Frisch, and K.B. Wiberg J. Am. Chem. Soc. 113 1991 4776
57. M.W. Wong, K.B. Wiberg, and M.J. Frisch J. Chem. Phys. 95 1991 8991
58. M.W. Wong, K.B. Wiberg, and M.J. Frisch J. Am. Chem. Soc. 114 1992 523
59. M.W. Wong, K.B. Wiberg, and M.J. Frisch J. Am. Chem. Soc. 114 1992 1645
60. A.E. Reed, L.A. Curtiss, and F. Weinhold Chem. Rev. 88 1988 899
61. 2C: 444381.0, 454015.4 (in THF), 453753.8 (in acetone).
62. A.P. Scott, and L. Radom J. Phys. Chem. 100 1996 16502
63. L. Yu, G.N. Srinivas, and M. Schwartz J. Mol. Struct. (THEOCHEM) 625 2003 215