3 October 1988 Approaches To Quantitative Analysis With Infrared Spectroscopy
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Proceedings Volume 0917, Recent Developments and Applications of Infrared Analytical Instruments; (1988); doi: 10.1117/12.945583
Event: Sira/SPIE Infrared Meeting, 1988, London, United Kingdom
Two trends can be discerned in the recent development of methods for quantitative analysis using infrared spectroscopy. The first is the adoption of methods which use whole regions or complete spectra rather than a limited number of discrete frequencies. This can be attributed to the availability of the necessary computing power at low cost. Fourier transform spectrometers provide a complete spectrum with no time penalty relative to a measurement at a single frequency. This too has encouraged the development of these methods. The second trend has been the move away from reliance on Beer's Law. Statistical approaches, well established in other fields, can perform well in situations where there is no linear, or other simple relationship between absorbance and the value of the property of interest. These methods have encouraged the application of IR spectroscopy to the quantitative analysis of increasingly complex mixtures, and to the determination of properties other than component concentrations. This paper will deal with the move away from methods based explicitly on Beer's Law. This change is probably more significant than the extension of traditional approaches from discrete frequency to complete spectra. The mathematics will not be treated in any detail. It is possible to identify the advantages and limitations of the various approaches by examining the underlying ideas rather than the detail of the algorithms.
© (1988) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
R A Spragg, "Approaches To Quantitative Analysis With Infrared Spectroscopy", Proc. SPIE 0917, Recent Developments and Applications of Infrared Analytical Instruments, (3 October 1988); doi: 10.1117/12.945583; https://doi.org/10.1117/12.945583

Statistical analysis

Infrared spectroscopy

Quantitative analysis


Infrared radiation


Molecular interactions

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