Bowie Bryan T, Griffiths Peter R
Department of Chemistry, University of Idaho, Moscow, Idaho 83844-2343, USA.
Appl Spectrosc. 2003 Feb;57(2):190-6. doi: 10.1366/000370203321535114.
The resolution of a grating polychromator for Raman spectroscopy has been simulated by measuring spectra on a Fourier transform (FT) Raman spectrometer and selecting the FT of the apodization function so that the instrument line shape function mimics the triangular spectral slit function of the polychromator. To this end, FT-Raman spectra measured with a nominal resolution of 0.5 cm-1 were modified through the application of sinc2 apodization functions of various widths to simulate spectra measured on a polychromator at lower resolution. The success of this approach was validated using the 1085 cm-1 band of calcite. When the modified FT-Raman spectra were compared with spectra measured on a grating polychromator equipped with slits of widths 100 and 150 microns, the resolution of the polychromator was estimated to be 6.3 and 7.8 cm-1, respectively. This conclusion was verified experimentally by measuring the separation of two bands in the Raman spectrum of BaSO4 at approximately 460 cm-1.
通过在傅里叶变换(FT)拉曼光谱仪上测量光谱并选择变迹函数的傅里叶变换,模拟了用于拉曼光谱的光栅多色仪的分辨率,以使仪器线形函数模仿多色仪的三角形光谱狭缝函数。为此,通过应用各种宽度的sinc2变迹函数,对以0.5 cm-1的标称分辨率测量的FT拉曼光谱进行修改,以模拟在较低分辨率的多色仪上测量的光谱。使用方解石的1085 cm-1谱带验证了该方法的成功。当将修改后的FT拉曼光谱与在配备有100和150微米宽度狭缝的光栅多色仪上测量的光谱进行比较时,估计多色仪的分辨率分别为6.3和7.8 cm-1。通过测量硫酸钡拉曼光谱中约460 cm-1处两条谱带的间距,通过实验验证了这一结论。