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Neutron molecular spectroscopy

APR 01, 1976
Improvements in empirical potential functions and calculational techniques promise to upgrade neutron molecular spectroscopy into a powerful tool for probing intermolecular forces in complex systems.
Sow‐Hsin Chen
Sidney Yip

Neutron scattering is playing an increasingly important, and sometimes even unique, role in molecular spectroscopy. In this article we describe a unified approach to the study of molecular forces, correlating thermodynamic, conformational, structural and spectroscopic data on atomic and molecular systems. Our emphasis is on the basic information on the intermolecular potential function that can be extracted from the study of the dynamical properties of these systems. In particular we will describe the development of empirical potentials for chemical systems and discuss current techniques in neutron spectroscopy.

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References

  1. 1. R. M. Brugger, PHYSICS TODAY, December 1968, page 23.

  2. 2. J. D. Axe, G. Shirane, PHYSICS TODAY, September 1973, page 32.

  3. 3. Proceedings of the symposia on Inelastic Scattering of Neutrons. International Atomic Energy Agency, Vienna (1960, 1962, 1965, 1968 and 1972).

  4. 4. H. Boutin, S. Yip, Molecular Spectroscopy with Neutrons, MIT (1968).

  5. 5. J. W. White, in reference 3 (1972), page 315.

  6. 6. J. J. Rush, in Critical Evaluation of Chemical and Physical Structural Information, National Academy of Sciences, Washington, DC (1974), page 369.

  7. 7. P. A. Egelstaff, in Spectroscopy in Biology and Chemistry—Neutron, X‐Ray, Laser (S. H. Chen, S. Yip, eds.), Academic, New York (1974), page 269.

  8. 8. R. G. Gordon, in Advances in Magnetic Resonance (J. S. Waugh, ed.), Academic, New York (1968), volume 3, page 9.

  9. 9. W. Marshall, S. W. Lovesey, Theory of Thermal Neutron Scattering, Oxford U.P., London (1971).

  10. 10. J. A. Barker, in Rare Gas Solids (M. L. Klein, J. A. Venables, eds.) Academic, New York (1976), chapter 4.

  11. 11. J. A. Barker, R. O. Watts, J. K. Lee, T. P. Schafer, Y. T. Lee, J. Chem. Phys. 61, 3081 (1974).https://doi.org/JCPSA6

  12. 12. J. L. Yarnell, M. J. Katz, R. G. Wenzel, S. H. Koenig, Phys. Rev. A 7, 2130 (1972).https://doi.org/PLRAAN

  13. 13. A. Rahman, Phys. Rev. A 9, 1667 (1974).https://doi.org/PLRAAN

  14. 14. J. Skalyo, Y. Endoh, G. Shirane, Phys. Rev. B 9, 1797 (1974).https://doi.org/PLRBAQ

  15. 15. Y. S. Kim, Phys. Rev. A 11, 796, 804 (1975); https://doi.org/PLRAAN
    D. W. Oxtoby, W. M. Gelbart, Phys. Rev. A 12, 2227 (1975).https://doi.org/PLRAAN

  16. 16. N. Jacobi, O. Schnepp, J. Chem. Phys. 58, 3647 (1973); https://doi.org/JCPSA6
    A. Zunger, E. Huler, J. Chem. Phys. 62, 3010 (1975).https://doi.org/JCPSA6

  17. 17. R. D. Etters, R. Danilowicz, W. England, Phys. Rev. A 12, 2199 (1975).https://doi.org/PLRAAN

  18. 18. J. H. Schachtschneider, R. G. Snyder, Spectrochim. Acta 19, 117 (1963); https://doi.org/SPACA5
    R. G. Snyder, J. H. Schachtschneider, Spectrochim. Acta 21, 119 (1965).https://doi.org/SPACA5

  19. 19. S. Lifson, A. Warshel, J. Chem. Phys. 49, 5116 (1968); https://doi.org/JCPSA6
    A. Warshel, S. Lifson, J. Chem. Phys. 53, 582 (1970).https://doi.org/JCPSA6

  20. 20. B. Hudson, in Spectroscopy in Biology and Chemistry—Neutron, X‐Ray, Laser (S. H. Chen, S. Yip, eds.) Academic, New York (1974), page 119.

  21. 21. B. Hudson, A. Warshel, R. G. Gordon, J. Chem. Phys. 61, 2929 (1974).https://doi.org/JCPSA6

  22. 22. J. M. Dickey, A. Paskin, Phys. Rev. 188, 1407 (1969); https://doi.org/PHRVAO
    J. P. Hansen, M. L. Klein, J. de Phys. Lett. 35, L‐29 (1974).

  23. 23. B. Quentrec, Phys. Rev. A 12, 282 (1975); https://doi.org/PLRAAN
    J. J. Weis, M. L. Klein, J. Chem. Phys. 63, 2869 (1975).https://doi.org/JCPSA6

  24. 24. J. P. Hansen, M. L. Klein, Phys. Rev., B 13, 878 (1976).https://doi.org/PLRBAQ

  25. 25. F. G. Stillinger, A. Rahman, in Molecular Motions in Liquids (J. Lascombe, ed.), Reidel, Amsterdam (1974), page 479;
    F. G. Stillinger, A. Rahman, J. Chem. Phys. 60, 1545 (1974).https://doi.org/JCPSA6

More about the authors

Sow‐Hsin Chen, Massachusetts Institute of Technology.

Sidney Yip, Massachusetts Institute of Technology.

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This Content Appeared In
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Volume 29, Number 4

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