A multimodal spectrometer for Raman scattering and near-infrared absorption measurement

作者：Wang Wenbo; Paliwal Jitendra^*

来源：Vibrational Spectroscopy, 2014, 74: 13-19.

DOI：10.1016/j.vibspec.2014.07.002

• Multi-modal spectrometer
• Raman
• Near-infrared
• Quantification
• Data augmentation
• Two-dimensional correlation spectroscopy
• (2DCOS)

Raman and infrared (IR) spectroscopy are complementary spectroscopic techniques. However, measurement of Raman and IR spectra are commonly carried out on separate instruments. A dispersive system that enables both Raman spectroscopy and NIR spectroscopy was designed, built, and tested. The prototype system measures spectral ranges of 2600-300 cm(-1) and 752-987 nm for Raman and NIR channels, respectively. A wavelength accuracy better than 0.6 nm and spectral resolution better than 1 nm (14.4 cm(-1) for Raman channel) could be achieved with our configuration. The linearity of spectral response was better than 99.8%. The intensity stability of the instrument was found to be 0.7% and 0.4% for Raman and NIR channels, respectively. The performance of the instrument was evaluated using binary aqueous solutions of ethanol and ovalbumin. It was found that ethanol concentrations (2-10%) could be predicted with a root mean squared error of prediction (RMSEP) of 0.45% using Raman peak height at 882.2 cm(-1). Quantification of ovalbumin concentration (8-16 g/L) in aqueous solutions and in denatured states yielded RMSEP values of 1.05 g/L and 0.74 g/L, respectively. Using concentration as external perturbation in two-dimensional correlation spectroscopy (2DCOS), heterospectral correlation analysis revealed the relationship between NIR and Raman spectra.