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Theory of translation-rotation coupling in sodium azide

The Journal of Chemical Physics, ISSN: 0021-9606, Vol: 85, Issue: 9, Page: 5251-5261
1986
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  • Citations
    5
    • Citation Indexes
      5

Article Description

A microscopic theory of softening of elastic modulii in β-NaN , the high temperature phase of solid sodium azide, is given. The softening of the elastic modulii occurs due to coupling of the rotational degrees of freedom of an azide ion to the translational degrees of freedom of the neighboring ions. The softening of elastic modulus C is found to be more pronounced than that of C, while C is found to be independent of temperature. The contribution of fourth order angular momentum terms l=4 to softening are found to be negligible for C, but are appreciable for C. A good fit to the Brillouin data of Kushida and Terhune (Ref. 1) is obtained by reducing both the electric charge on the end N atoms of N and the strength of the Born-Mayer repulsive interaction from their values available in the literature. The experimental value of the extrapolated transition temperature T=18 °C agrees well with the calculated transition temperature of T=24 °C. © 1986 American Institute of Physics.

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