Development of a polystyrene reference material for Raman spectrometer. NMIJ RM 8158-a

The Raman shift is one of the most important parameters in Raman spectroscopy, and is calculated from the difference in the wavenumbers for excitation and for Raman scattering. Because the observed shifts are strongly dependent on the spectrometer and the measurement conditions, physically and chemically stable reference materials for Raman-shift validation are required. We reliably estimated the Raman shift and evaluated its uncertainty for peaks of a 4-mm-thick, 25-mm-diameter polystyrene disc by using a HeNe laser and Raman-scattered light calibrated with Ne/Ar emission lines. We considered uncertainties originating from the fitting, repeatability, and reproducibility of both the Ne/Ar emission lines and the Rayleigh/Raman-scattered lights, as well as the wavenumber of the unstabilised HeNe laser, and pixel and spectral resolutions. We also considered uncertainty originating from inhomogeneity among and within discs, as well as their long-term stability. The obtained Raman shifts of 11 peaks (reference values) were comparable to those described in ASTM E1840 with expanded uncertainty at 1.1 or 1.2 cm⁻¹ (k = 2, coverage factor). (author)