Spectral Effects of Water in the 10,000 to 8000 cm−1 (1000 to 1250 nm) near Infrared Spectral Region. And, Can They Explain Previously Seen Effects of Water in the Spectral Region from 14,000 to 11,500 cm−1 (714 to 870 nm)?

1995 ◽  
Vol 3 (3) ◽  
pp. 143-153 ◽  
Author(s):  
James B. Reeves

The spectral region from 10,000 to 8000 cm−1 (1000 to 1250 nm) is often used for high moisture samples and fibre optic systems. The first objective of this work was to determine the effects of water on the spectra of various types of materials in this spectral region. The second objective was to determine the origin/nature of spectral effects/artifacts seen in the spectral region from 14,000 to 11,500 cm−1 (714 to 870 nm) when water was added to gums and proteins (increases in peak intensities and shifts in position due to the presence of water). Spectra were obtained by diffuse reflectance and transmission using a Fourier transform spectrometer. The results showed that the effects seen in the mid-infrared and near infrared from 8000 to 4000 cm−1 (1250 to 2500 nm) were also common in this part of the near infrared (i.e. peak shifts, loss of spectral features etc). Thus, the spectra of crystalline glucose and sucrose, while distinctively different as crystalline solids, were very similar when in solution and changes in the spectra of materials, such as acetone, pyridine and ethanol, were very similar in nature to those previously found in the near infrared from 8000 to 4000 cm−1 (1250 to 2500 nm). Finally, detailed examination of spectra in the region from 10,000 to 8000 or 6000 cm−1 (1000 to 1250 or 1667 nm) did not show any spectral effects similar to those seen in gums and proteins in the 14,000 to 11,500 cm−1 (714 to 870 nm) region. Thus, the nature of these effects is still unknown.

2000 ◽  
Vol 54 (3) ◽  
pp. 450-455 ◽  
Author(s):  
Stephen R. Lowry ◽  
Jim Hyatt ◽  
William J. McCarthy

A major concern with the use of near-infrared (NIR) spectroscopy in many QA/QC laboratories is the need for a simple reliable method of verifying the wavelength accuracy of the instrument. This requirement is particularly important in near-infrared spectroscopy because of the heavy reliance on sophisticated statistical vector analysis techniques to extract the desired information from the spectra. These techniques require precise alignment of the data points between the vectors corresponding to the standard and sample spectra. The National Institute of Standards and Technology (NIST) offers a Standard Reference Material (SRM 1921) for the verification and calibration of mid-infrared spectrometers in the transmittance mode. This standard consists of a 38 μm-thick film of polystyrene plastic. While SRM 1921 works well as a mid-infrared standard, a thicker sample is required for use as a routine standard in the near-infrared spectral region. The general acceptance and proven reliability of polystyrene as a standard reference material make it a very good candidate for a cost-effective NIR standard that could be offered as an internal reference for every instrument. In this paper we discuss a number of the parameters in a Fourier transform (FT)-NIR instrument that can affect wavelength accuracy. We also report a number of experiments designed to determine the effects of resolution, sample position, and optics on the wavelength accuracy of the system. In almost all cases the spectral reproducibility was better than one wavenumber of the values extrapolated from the NIST reference material. This finding suggests that a thicker sample of polystyrene plastic that has been validated with the SRM 1921 standard would make a cost-effective reference material for verifying wavelength accuracy in a medium-resolution FT-NIR spectrometer.


1995 ◽  
Vol 49 (3) ◽  
pp. 295-303 ◽  
Author(s):  
James B. Reeves

The objectives of this work were to examine similarities and differences in the near-infrared and mid-infrared spectral regions when one is working with high-moisture materials and to study spectral changes in these regions as a method to identify the relationship of spectral information in the near-IR to fundamental absorptions in the mid-IR. Near- and mid-infrared spectra were taken with a Digilab FTS-65 Fourier transform spectrometer. Liquids were examined by transmission and solids by reflectance. Results with solutions showed that less spectral distortion arises when one is subtracting water from mid- rather than from near-infrared spectra. It was also easier to produce high-quality spectra in the mid-infrared by using attenuated total reflectance than by using transmission in the near-infrared. While mid-infrared spectra showed changes (induced by water, pH, physical state, and ionic strength) similar to those found in the near-infrared, there appeared to be more information available in the mid-infrared, even in the presence of water.


2011 ◽  
Vol 4 (1) ◽  
pp. 443-459
Author(s):  
T. Ridder ◽  
T. Warneke ◽  
J. Notholt

Abstract. Solar absorption Fourier Transform infrared spectrometry is considered a precise and accurate method for the observation of trace gases in the atmosphere. The precision and accuracy of such measurements are dependent on the stability of the light source. Fluctuations in the source brightness reduce the precision and accuracy of the trace gas concentrations, but cannot always be avoided. Thus, a strong effort is made within the community to reduce the impact of source brightness fluctuations by applying a correction on the spectra following the measurements. So far, it could be shown that the precision and accuracy of CO2 total column concentrations could be improved by applying a source brightness fluctuation correction to spectra in the near infrared spectral region. The analysis of trace gas concentrations obtained from spectra in the mid infrared spectral region is fundamental. However, spectra below 2000 cm−1 are generally considered uncorrectable, if they are measured with a MCT detector. Such measurements introduce an unknown offset to MCT interferograms, which prevents a source brightness fluctuation correction. Here, we show a method of source brightness fluctuation correction, which can be applied on spectra in the whole infrared spectral region including spectra measured with a MCT detector. We present a solution to remove the unknown offset in MCT interferograms allowing MCT spectra for an application of source brightness fluctuation correction. This gives an improvement in the quality of MCT spectra and we demonstrate an improvement in the retrieval of O3 profiles and total column concentrations. For a comparison with previous studies, we apply our source brightness fluctuation correction method on spectra in the near infrared spectral region and show an improvement in the retrieval of CO2 total column concentrations.


2011 ◽  
Vol 4 (6) ◽  
pp. 1045-1051 ◽  
Author(s):  
T. Ridder ◽  
T. Warneke ◽  
J. Notholt

Abstract. The precision and accuracy of trace gas observations using solar absorption Fourier Transform infrared spectrometry depend on the stability of the light source. Fluctuations in the source brightness, however, cannot always be avoided. Current correction schemes, which calculate a corrected interferogram as the ratio of the raw DC interferogram and a smoothed DC interferogram, are applicable only to near infrared measurements. Spectra in the mid infrared spectral region below 2000 cm−1 are generally considered uncorrectable, if they are measured with a MCT detector. Such measurements introduce an unknown offset to MCT interferograms, which prevents the established source brightness fluctuation correction. This problem can be overcome by a determination of the offset using the modulation efficiency of the instrument. With known modulation efficiency the offset can be calculated, and the source brightness correction can be performed on the basis of offset-corrected interferograms. We present a source brightness fluctuation correction method which performs the smoothing of the raw DC interferogram in the interferogram domain by an application of a running mean instead of high-pass filtering the corresponding spectrum after Fourier transformation of the raw DC interferogram. This smoothing can be performed with the onboard software of commercial instruments. The improvement of MCT spectra and subsequent ozone profile and total column retrievals is demonstrated. Application to InSb interferograms in the near infrared spectral region proves the equivalence with the established correction scheme.


2019 ◽  
Vol 28 (7) ◽  
pp. 9-16
Author(s):  
Shich-Chuan Wu ◽  
Yu-Lin Yang ◽  
Wen-Hsien Huang ◽  
Yang-Tung Huang

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