Infrared reflection and the vibrational dipole derivatives of azide ion in β-NaN3

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Abstract
Infrared reflection from single crystals of β‐NaN3 has been observed at room temperature in the ν2 and ν3 regions. The samples are plates with the large surface perpendicular to the threefold and hence the azide ion axis. In TE polarization only ν2 is observed, whereas in TM polarization with the use of incidence angles in the vicinity of 45° both fundamental modes appear. The reflection bands are analyzed with the aid of a dielectric function model apropriate for a damped harmonic oscillator. The transverse frequencies are found to be ν2=638, ν3=2090 cm−1, and the molecular dipole derivatives are ∂μ/∂q2=±29.2 and ∂μ/∂q3=±423, with perhaps 10% uncertainties. These values are transformed into ∂μ/∂S values (where S is an internal symmetry coordinate) and compared with the corresponding values for isoelectronic CO2.

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