Relative energies of α and β isomers of Keggin dodecatungstogallate

Inorganic Chemistry

Volumn 45, Issue 3, 2006, Pages 958-960

  Sundaram, Karthik M ^a   Neiwert, Wade A ^b   Hill, Craig L ^a   Weinstock, Ira A ^c  

^a EMORY UNIVERSITY   (United States)

^b BETHEL UNIVERSITY   (United States)

^c CITY COLLEGE OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 32544458992     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic051789n     Document Type: Article

References (22)

1. Tézé, A.; Hervé, G. J. Inorg. Nucl. Chem. 1977, 39, 2151-2154.
2. Weinstock, I. A.; Barbuzzi, E. M. G.; Wemple, M. W.; Cowan, J. J.; Reiner, R. S.; Sonnen, D. M.; Heintz, R. A.; Bond, J. S.; Hill, C. L. Nature 2001, 414, 191-195.
3. Weinstock, I. A.; Cowan, J. J.; Barbuzzi, E. M. G.; Zeng, H.; Hill, C. L. J. Am. Chem. Soc. 1999, 121, 4608-4617.
4. Cowan, J. J.; Bailey, A. J.; Heintz, R. A.; Do, B. T.; Hardcastle, K. I.; Hill, C. L.; Weinstock, I. A. Inorg. Chem. 2001, 40, 6666-6675.
5. Cowan, J. J.; Hill, C. L.; Reiner, R. S.; Weinstock, I. A. In Inorganic Synthesis; Coucouvanis, D., Ed.; John Wiley & Sons: New York, 2002; Vol. 33, pp 18-26.
6. Neiwert, W. A.; Cowan, J. J.; Hardcastle, K. I.; Hill, C. L.; Weinstock, I. A. Inorg. Chem. 2002, 41, 6950-6952.
7. Day, V. W.; Klemperer, W. G. Science 1985, 228, 533-541.
8. Lopez, X.; Maestre, J. M.; Bo, C.; Poblet, J.-M. J. Am. Chem. Soc. 2001, 123, 9571-9576.
9. Davidson, E. R. Chem. Rev. 2000, 100, 351-352.
10. Fedotov, M. A.; Kazanskii, L. P. Izv. Akad. Nauk SSSR, Ser. Khim. 1988, 9, 2000-2003.
11. Geletii, Y. V.; Hill, C. L.; Bailey, A. J.; Hardcastle, K. I.; Atalla, R. H.; Weinstock, I. A. Inorg. Chem. 2005, 44, 8955-8966.
12. Lefebvre, J.; Chauveau, F.; Doppelt, P.; Brevard, C. J. Am. Chem. Soc. 1981, 103, 4589-4591.
13. These spectra are very similar to those shown in ref 10 (although α and β isomers are not mentioned there).
14. Lopez, X.; Poblet, J. M. Inorg. Chem. 2004, 43, 6863-6865.
15. Poblet, J. M.; López, X.; Bo, C. Chem. Soc. Rev. 2003, 32, 297-308.
16. Klamt, A. J. Phys. Chem. 1995, 99, 2235.
17. Poblet, J. M., private communication.
18. At 200°C (15.5 bar), the dielectric constant of water is ca. 38: Shock, E. L.; Oelkers, E. H.; Johnson, J. W.; Sverjensky, D. A.; Helgeson, H. Faraday Trans. 1992, 88, 803-826.
19. 2 are R1 = 0.0380 and wR2 = 0.0917 for I > 2σ(I).
20. Huheey, J. E. Inorganic Chemistry: Principles of Structure and Reactivity, 2nd ed.; Harper & Row: New York, 1978.
21. 5-).
22. A new DFT study of α- and β-1 appeared (on the web) after submission: Zhang, F. Q.; Wu, H. S.; Qin, X. F.; Li, Y. W.; Jiao, H. J. Mol. Struct. 2005, 755, 113-117.