Surface Selection Rule of Infrared Diffuse Reflection Spectrometry for Analysis of Molecular Adsorbates on a Rough Surface of a Nonabsorbing Medium

2014 ◽  
Vol 86 (9) ◽  
pp. 4202-4208 ◽  
Author(s):  
Seiya Morimine ◽  
Shingo Norimoto ◽  
Takafumi Shimoaka ◽  
Takeshi Hasegawa
2003 ◽  
Vol 57 (2) ◽  
pp. 176-185 ◽  
Author(s):  
Tomas Isaksson ◽  
Husheng Yang ◽  
Gabor J. Kemeny ◽  
Richard S. Jackson ◽  
Qian Wang ◽  
...  

The diffuse reflection (DR) spectrum of a sample consisting of a mixture of rare earth oxides and talc was measured at 2 cm−1 resolution, using five different accessories installed on five different Fourier transform near-infrared (FT-NIR) spectrometers from four manufacturers. Peak positions for 37 peaks were determined using two peak-picking algorithms: center-of-mass and polynomial fitting. The wavenumber of the band center reported by either of these techniques was sensitive to the slope of the baseline, and so the baseline of the spectra was corrected using either a polynomial fit or conversion to the second derivative. Significantly different results were obtained with one combination of spectrometer and accessory than the others. Apparently, the beam path through the interferometer and DR accessory was different for this accessory than for any of the other measurements, causing a severe degradation of the resolution. Spectra measured on this instrument were removed as outliers. For measurements made on FT-NIR spectrometers, it is shown that it is important to check the resolution at which the spectrum has been measured using lines in the vibration-rotation spectrum of atmospheric water vapor and to specify the peak-picking and baseline-correction algorithms that are used to process the measured spectra. The variance between the results given by the four different methods of peak-picking and baseline correction was substantially larger than the variance between the remaining five measurements. Certain bands were found to be more suitable than others for use as wavelength standards. A band at 5943.13 cm−1 (1682.62 nm) was found to be the most stable band between the four methods and the six measurements. A band at 5177.04 cm−1 (1931.61 nm) has the highest precision between different measurements when polynomial baseline correction and polynomial peak-picking algorithms are used.


1996 ◽  
Vol 4 (1) ◽  
pp. 107-110
Author(s):  
Nathan C. Chaffin ◽  
Peter R. Griffiths

This work reports that inherent absorption by polytetrafluoroethlyene precludes its use as a near infrared or extended near infrared reflection reference material. The effect of this inherent absorption on certain analyte bands is shown. The effectiveness of a previously published method for removing moisture and hydrocarbons from the surface of polytetrafluoroethylene is shown. It is suggested that diffuse gold should be used as the reflection reference material for all measurements made below 5000 cm−1.


1967 ◽  
Vol 7 (6) ◽  
pp. 603-605 ◽  
Author(s):  
A. S. Toporets ◽  
M. M. Mazurenko

1998 ◽  
Vol 52 (2) ◽  
pp. 218-221 ◽  
Author(s):  
Nathan C. Chaffin ◽  
Peter R. Griffiths

The role of the bulk scattering coefficient in extended near-infrared diffuse reflection (DR) spectrometry of materials with similar or identical absorption coefficients is demonstrated. Spectral differences that arise from intraclass variation in scattering coefficient strongly affect the ability to interpret certain spectral regions. Profound intraclass differences in both band intensities and band shapes in the DR spectra of both polyethylene and polystyrene samples are shown. The effects of saturation and Fresnel reflection are discussed. The enhancement of absorption by the matrix and other analytes in DR spectrometry through the addition of a liquid with an index of refraction which matches that of the matrix is also demonstrated.


1968 ◽  
Vol 8 (1) ◽  
pp. 105-106 ◽  
Author(s):  
A. S. Toporets ◽  
M. M. Mazurenko

1997 ◽  
Vol 51 (2-3) ◽  
pp. 119-132
Author(s):  
V. F. Naumenko ◽  
Leonid Aleksandrovich Pazynin ◽  
A. S. Bryukhovetsky

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