Tl2Ch22- (Ch = Se and/or Te) Anions: X-ray Crystal Structures and Raman Spectra of (2,2,2-crypt-K+) 2Tl2Se22- and (2,2,2-crypt-K +)2Tl2Te22- and Solution 77Se, 203Tl, and 205Tl NMR Spectroscopic and Theoretical Studies

Inorganic Chemistry

Volumn 37, Issue 8, 1998, Pages 1929-1943

  Borrmann, Horst ^a   Campbell, Janette ^b   Dixon, David A ^c   Mercier, Hélène P A ^b   Pirani, Ayaaz M ^b   Schrobilgen, Gary J ^b  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b MCMASTER UNIVERSITY   (Canada)

^c PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000585295     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic9710465     Document Type: Article

References (66)

1. Max-Planck-Institut.
2. McMaster University.
3. Pacific Northwest National Laboratory.
4. Corbett, J. D. Chem. Rev. 1985, 85, 383.
5. Campbell, J.; Schrobilgen, G. J. Inorg. Chem. 1997, 36, 4078.
6. Edwards, P. A.; Corbett, J. D. Inorg. Chem. 1977, 16, 903.
7. Corbett, J. D. Inorg. Chem. 1968, 7, 198.
8. Critchlow, S. C.; Corbett, J. D. Inrog. Chem. 1984, 23, 770.
9. Cisar, A.; Corbett, J. D. Inorg. Chem. 1977, 16, 2482.
10. Martin, T. P. Angew. Chem., Int. Ed. Engl. 1986, 25, 197.
11. Marsh, R. E.; Shoemaker, D. P. Acta Crystallogr. 1953, 6, 197
12. Hansen, D. A.; Smith, J. F. Acta Crystallogr. 1967, 22, 836.
13. Critchlow, S. C.; Corbett, J. D. Inorg. Chem. 1982, 21, 3286.
14. Critchlow, S. C.; Corbett, J. D. Inorg. Chem. 1985, 24, 979
15. Simon, A.; Borrmann, H.; Craubner, H. Phosphorus Sulfur 1987, 30, 507.
16. Donohue, J. The Structures of the Elements: John Wiley & Sons. Inc.: New York. 1974; Chapter 8, pp 302-310.
17. Marynick, D. S.; Axe, F. U. Inorg. Chem. 1988, 27, 1426.
18. Cave, R. J.; Davidson, E. R.; Sautet, P.; Canadell, E.; Eisenstein, O. J. Am. Chem. Soc. 1989, 111, 8105.
19. Burns, R. C.; Corbett, J. D. J. Am. Chem. Soc. 1981, 103, 2627.
20. Burns, R. C.; Devereux, L. A.; Granger, P.; Schrobilgen, G. J. Inorg. Chem. 1985, 24, 2615.
21. Campbell, J.; Devereux, L. A.; Gerken, M.; Mercier, H. P. A.; Pirani, A. M.; Schrobilgen, G. J. Inorg. Chem. 1996, 35, 2945.
22. Campbell, J.; Dixon, D. A.; Mercier, H. P. A.; Schrobilgen, G. J. Inorg. Chem. 1995, 34, 5798.
23. Gillespie, R. J.; Hargittai, I. The VSEPR Model of Molecular Geometry; Simon & Schuster, Inc.; Boston, MA, 1991; Chapters 3 and 5.
24. Bensch, W.; Schuster, M. Z Anorg. Allg. Chem. 1993, 619, 1689.
25. Zahn, G.; Franke, A.; Dietzsch, W. Acta Crystallogr. 1995, C51, 854.
26. Toure, A. A.; Kra, G.; Eholie, R.; Olivier-Fourcade, J.; Jumas, J.-C. J. Solid State Chem. 1990, 87, 229.
27. Schewe, I.; Böttcher, P.; von Schnering, H. G. Z. Kristallogr. 1989, 118, 287.
28. Pearson, W. B. In Handbook of Lattice Spacings and Structures of Metals; Pergamon Press: Oxford. U.K., 1967; Bd. 2, S. 90.
29. Dhingra, S. S.; Kanatzidis, M. G. Inorg. Chem. 1993, 32, 2298.
30. Pauling, L. The Nature of the Chemical Bond, 3rd ed.; Cornell University Press: Ithaca, NY, 1960; pp 224, 257, 260, 514.
31. Björgvinsson, M.; Sawyer, J. F.; Schrobilgen, G. J. Inorg. Chem. 1987, 26, 741.
32. Björgvinsson, M.; Mercier, H. P. A.; Mitchell, K. M.; Schrobilgen, G. J.; Strohe, G. Inorg. Chem. 1993, 32, 6046.
33. Borrmann, H.; Campbell, J.; Dixon, D. A.; Mercier, H. P. A.; Pirani, A. M.; Schrobilgen, G. J. Inorg. Chem., submitted for publication.
34. Allen, L. C. J. Am. Chem. Soc. 1989, 111, 9003 and references therein.
35. Campbell, J.; DiCiommo, D. P.; Mercier, H. P. A.; Pirani, A. M.; Schrobilgen, G. J. Inorg. Chem. 1995, 34, 6265.
36. Gimarc, B. M.; Ott, J. J. J. Am. Chem. Soc. 1986, 108, 4298.
37. Mason, J. In Multinuclear NMR; Mason, J., Ed.; Plenum Press: New York, 1987; Appendix, pp 626-627.
38. 21
39. Mayer, I. Chem. Phys. Lett. 1983, 97, 270; Theoret. Chim. Acta 1985, 67, 315; Int. J. Quantum Chem. 1986, 29, 73.
40. Mayer, I. Chem. Phys. Lett. 1983, 97, 270; Theoret. Chim. Acta 1985, 67, 315; Int. J. Quantum Chem. 1986, 29, 73.
41. Mayer, I. Chem. Phys. Lett. 1983, 97, 270; Theoret. Chim. Acta 1985, 67, 315; Int. J. Quantum Chem. 1986, 29, 73.
42. (a) Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899.
43. (b) Foster, J. P.; Weinhold, F. J. J. Am. Chem. Soc. 1980, 102, 7211.
44. (c) Reed, A. E.; Weinhold, F. J. Chem. Phys. 1983, 78, 4066.
45. (d) Reed, A. E.; Weinstock, R. B.; Weinhold, F. J. Chem. Phys. 1985, 83, 735.
46. (e) Reed, A. E.; Weinhold, F. J. Chem. Phys. 1985, 83, 1736.
47. Jameson, C. J. In Multinuclear NMR; Mason, J., Ed.; Plenum Press: New York, 1987; Chapter 4, p. 89.
48. Pople, J. A.; Santry, D. P. Mol. Phys. 1964, 8, 1.
49. Pyykkö, P.; Wiesenfeld, L. Mol. Phys. 1981, 43, 557.
50. Sheldrick, G. M. SHELXTL-Plus, Release 5.03. Siemens Analytical X-ray Instruments, Inc.: Madison, WI, 1994.
51. Hägele, G.; Höffken, H.-W.; Mistry, F.; Spiske, R.; Weber, U.; Goudetsidis, S. DSYMPC, release 0.940728E; Institut für Anorganische Chemie und Strukturchcmie, Heinrich-Heine-Universität: Düsseldor. Germany, 1994.
52. (a) Andzelm, J.; Wimmer, E.; Salahub, D. R. In The Challenge of d and f Electrons: Theory and Computation; Salahub, D. R., Zerner, M. C., Eds.; ACS Symposium Series, No. 394; American Chemical Society: Washington, DC, 1989; p 228,
53. (b) Andzelm, J. In Density Functional Theory in Chemistry; Labanowski, J., Andzelm, J., Eds.; Springer-Verlag: New York, 1991; p 155.
54. (c) Andzelm, J.; Wimmer, E. J. Chem. Phys. 1992, 96, 1280.
55. Chen, H.; Kraskowski, M.; Fitzgerald, G. J. Chem. Phys. 1993, 98, 8710.
56. (b) Troullier, N.; Martins, J. L. Phys. Rev. B 1991, 43, 1993.
57. Godbout, N.; Salahub, D. R.; Andzelm, J.; Wimmer, E. Can. J. Chem. 1992, 70, 560.
58. Vosko, S. J.; Wilk, L.; Nusair, W. Can. J. Phys. 1980, 58, 1200.
59. (a) Becke, A. D. Phys. Rev. A 1988, 38, 3098.
60. (b) Becke, A. D. In The Challenge of d and f Electrons: Theory and Computation; Salahub, D. R., Zerner, M. C., Eds.; ACS Symposium Series, No. 394; American Chemical Society: Washington, DC, 1989; p 166.
61. (c) Becke, A. D. Int. J. Quantum. Chem. Symp. 1989, 23, 599.
62. Perdew, J. P. Phys. Rev. B 1986, 33, 8822.
63. Stevens, W. J.; Krauss, M.; Basch, H.; Jasien, P. G. Can. J. Chem. 1992, 70, 216.
64. Huzinaga, S.; Andzelm, J.; Klobukowski, M.; Radzio-Andzelm, E.; Sakai, Y.; Tatewaki, H. Gaussian Basis Sets for Molecular Calculations; Physical Sciences Data 16; Elsevier: Amsterdam, 1984.
65. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson. B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Peterson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara. A.; Challacombe, M.; Peng. C. Y.; Ayala, P. Y.; Chen. W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox. D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94; Gaussian, Inc.: Pittsburgh, PA, 1995.
66. Komomicki, A.; Fitzgerald, G. J. Phys. Chem. 1993, 98, 1398 and references therein.