CURVE FITTING MODEL FOR FOURIER TRANSFORM INFRARED SPECTROSCOPY
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Date
1988
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Ohio State University
Abstract
While dispersive infrared spectrophotometers are being replaced by more powerful Fourier transform spectrometers, many methods of data manipulation (e.g., derivative, area integration, curve fitting) and their interpretation are being accomplished without proper attention being paid to the attendant differences in data collection. Although it is well understood that the band shapes of FTIH spectra are altered by the use of apodization functions, no quantitative studies of these effects have been reported We will discuss the alteration of the Lorentzlan line shape when it is convoluted with the widely-used instrumental line shape functions. It will be shown that the experimental band shape depends on the resolution of a spectrum the half-width and the choice of apodization function. Quantitative criteria for the curve fitting of Fourier transformed infrared spectra will be suggested, based on an analytical formula, and domonstrated by synthetic and real spectra. These guidelines are particularly important when curve fitting is to be used to extract area ratios between overlapped peaks.
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Author Institution: Department of Chemistry, Michigan state University