K₂MCl₆ (M=Pt, Ir), location of the silent modes and forcefields

Abstract

The use of inelastic neutron scattering spectroscopy has enabled all the internal and external modes of K₂MCl₆ (M=Pt, Ir) to be observed and assigned for the first time. Based on the results, a reliable, empirical forcefield has been developed. Comparison with forcefields in the literature show that previously they all suffered from using an incomplete set of frequencies.

References

1. Y. Soma, J. Catal., 1979, 59, 239.
2. S. B. Mohsin, M. Trenary and H. J. Robota, J. Phys. Chem., 1988, 92, 5229.
3. M. A. Chesters, C. de la Cruz, P. Gardner, E. M. McCash, J. D. Prentice and N. Sheppard, J. Electron Spectrosc. Relat. Phenom., 1990, 54/55, 739.
4. S. A. Lawrence and P. A. Sermon, Spectrochim. Acta, Part A, 1987, 43, 1461.
5. K. Nakamoto, Infrared and Raman spectra of inorganic and coordination compounds, 4th edn., John Wiley, New York, 1986, p. 147.
6. J. Hiraishi and T. Shimanouchi, Spectrochim. Acta, 1966, 22, 1483.
7. D. M. Adams and H. A. Gebbie, Spectrochim. Acta, 1963, 19, 930.
8. P. J. Hendra and P. J. D. Park, Spectrochim. Acta, Part A, 1967, 23, 1635.
9. D. M. Adams, R. W. Berg and A. D. Williams, J. Chem. Phys., 1981, 74, 2800.
10. M. Debeau and M. Krauzman, C. R. Seances Acad. Sci., Ser. B, 1967, 264, 1724.
11. Y. M. Bosworth and R. J. H. Clark, J. Chem. Soc., Dalton Trans., 1974, 1749.
12. I. Kanesaka, T. Matsuda and Y. Morioka, J. Raman Spectrosc., 1995, 26, 239.
13. J. Penfold and J. Tomkinson, The ISIS Time Focused Crystal Spectrometer, TFXA, Rutherford Appleton Laboratory, Didcot, 1986, RAL-86-019.
14. J. Tomkinson, in Neutron Scattering From Hydrogen in Materials, ed. A. Furrer, World Press, Singapore, 1994, p. 168.
15. E. B. Wilson Jr., J. C. Decius and P. C. Cross, Molecular Vibrations, Dover, New York, 1955.
16. G. J. Kearley, J. Chem. Soc., Faraday Trans. 2, 1986, 82, 41.
17. G. J. Kearley, Nucl. Instrum. Methods Phys. Res. Sect. A, 1995, 354, 53.
18. R. J. Williams, D. R. Dillin and W. O. Milligan, Acta Crystallogr., Sect. B, 1973, 29, 1369.
19. R. K. Coll, J. E. Ferguson, B. R. Penfold, D. A. Rankin and W. T. Robinson, Inorg. Chim. Acta, 1990, 177, 107.
20. W. G. Fateley, F. R. Dollish, N. T. McDevitt and F. F. Bentley, Infrared and Raman Selection Rules for Molecular and Lattice Vibrations: The Correlation Method, Wiley-Interscience, New York, 1972.
21. J. F. Geldard and H. K. McDowell, Spectrochim. Acta, Part A, 1987, 43, 439.
22. F. Labonville, J. R. Ferraro, M. C. Wall and L. J. Basile, Coord. Chem. Rev., 1972, 7, 257.
23. D. M. Yost, S. C. S. Steffens and S. T. Gross, J. Chem. Phys., 1934, 2, 311.
24. S. F. Parker, C. J. Carlile, T. Pike, J. Tomkinson, R. J. Newport, C. Andreani, F. P. Ricci, F. Sachetti and M. Zoppi, Physica B, accepted for publication.