Experimental and Theoretical Electronic Structure Investigations on α-Nb3Cl8 and the Intercalated Phase β'-NaNb3Cl8

Inorganic Chemistry

Volumn 35, Issue 8, 1996, Pages 2276-2282

  Kennedy, John Rory ^a,b   Adler, Peter ^a   Dronskowski, Richard ^a   Simon, Arndt ^a  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b IDAHO NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0345604372     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic951348b     Document Type: Article

References (37)

1. Kennedy, J. R.; Simon, A. Inorg. Chem. 1991, 30, 2564.
2. Mattausch, Hj., Kennedy, J. R. Unpublished results.
3. (a) Schöllhorn, R.; Steffen, R.; Wagner, K. Angew. Chem. 1983, 95, 559.
4. (b) Steffen, R.; Schöllhorn, R. Solid State Ionics 1986, 22, 31.
5. Schnering, H G.; Wohrle, H.; Schäfer, H. Naturwissenschaften 1961, 6, 159
6. Schnering, H. G.; Schafer, H. Angew. Chem. 1964, 76, 833.
7. (a) Cotton, F. A. Inorg. Chem 1964, 3, 1217.
8. (b) Bullet, D. W Ibid. 1980, 19, 1780.
9. Bursten, B. E.; Cotton, F. A.; Hall, M. B.; Najjar, R. C. Ibid. 1982, 21, 302.
10. Muller, A.; Jostes, R.; Cotton, F. A. Angew. Chem. 1980, 92, 921.
11. Simon, A.; von Schnering, H -G. J. Less-Common Met. 1966, 11, 31.
12. Niesert, B.; Dissertation, Universität Stuttgart, 1980
13. Kennedy, J. R. To be submitted for publication.
14. McGlynn, S. P.; Vanquickenborne, L. G.; Kinoshita, M.; Carroll, D. G. Introduction to Applied Quantum Chemistry; Holt, Rinehart and Winston: New York, 1972.
15. (a) Hoffmann, R. J. Chem. Phys. 1963, 39, 1397.
16. (b) Hoffmann, R. Solids and Surfaces; A Chemist's View of Bonding in Extended Structures, VCH: Weinheim, Germany, New York, 1988.
17. Desclaux, J. P. At. Data Nucl. Data Tables 1973, 12, 311.
18. Pyykkö, P.; Lohr, L. L., Jr. Inorg. Chem. 1981, 20, 1950.
19. FitzPatrick, N J.; Murphy, G. H. Inorg. Chim. Acta 1984, 87, 41; 1986, 111, 139.
20. FitzPatrick, N J.; Murphy, G. H. Inorg. Chim. Acta 1984, 87, 41; 1986, 111, 139.
21. Ammeter, J. H.; Burgim H.-B.; Thibeault, J. C.; Hoffmann, R. J. Am. Chem. Soc. 1978, 100, 3686.
22. Baranovskii, V. I.; Nikolskii, A. B. Teor. Eksp. Khim. 1967, 3, 527.
23. Haussermann, U.; Nesper, R. ETH Zurich, unpublished.
24. QCPE program EHMACC by Whangbo, M.-H.; Evain, M.; Hugh banks, T.; Kertesz, M.; Wijeyesekera, S.; Wilker, C.; Zheng, C.; Hoffmann, R.
25. Program CACAO by Mealli, C.; Proserpio, D. M. J. Chem. Educ. 1990, 67, 399.
26. Yeh, J. J.; Lindau, I. At. Data Nucl. Data Tables 1985, 32, 1.
27. Torardi, C. C.; McCarley, R. E. Inorg. Chem. 1985, 24, 476.
28. Ansell, G. B.; Katz, L. Acta Crystallogr. 1966, 21, 482.
29. Atom-numbering scheme according to ref 21.
30. Kepert, D. L., Marshall, R. E. J. Less-Common Met 1974, 34, 153.
31. Meyer, H -J. Z. Anorg. Allg. Chem. 1994, 620, 81.
32. Lever, A. B. P. Inorganic Electronic Spectroscopy, Elsevier: Amsterdam, Oxford, New York, Tokyo, 1984.
33. Zaanen, J.; Sawatzky, G. A. J. Solid State Chem. 1990, 88, 8.
34. In order to obtain the relative Cl 3p and Nb 4d weights, both bands were each fitted to three Gaussian profiles.
35. Geyer-Lippmann, J.; Simon, A.; Stollmaier, F. Z. Anorg. Allg. Chem. 1984, 516, 55.
36. Diffuse reflectance spectra are damped m comparison to transmission spectra and also weak absorptions may appear rather strong. see: Kortüm, G. Reflexionsspektroskopie; Springer: Berlin, Heidelberg, Germany, New York, 1969.
37. Corbett, J. D.; Anderegg, J. W. Inorg. Chem. 1980, 19, 3822.