Fourier Self-Deconvolution: A Method for Resolving Intrinsically Overlapped BandsThe general theory of Fourier self-deconvolution, i.e., spectral deconvolution using Fourier transforms and the intrinsic lineshape, is developed. The method provides a way of computationally resolving overlapped lines that can not be instrumentally resolved due to their intrinsic linewidth. Examples of the application of the technique to synthetic and experimental infrared spectra are presented, and potential applications are discussed. It is shown that lines in spectra having moderate signal/noise ratios (∼1000) can readily be reduced in width by a factor of 3. The method is applicable to a variety of spectroscopic techniques.
Fourier transforms in the computation of self-deconvoluted and first-order derivative spectra of overlapped band contoursADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTFourier transforms in the computation of self-deconvoluted and first-order derivative spectra of overlapped band contoursJyrki K. Kauppinen, Douglas J. Moffatt, Henry H. Mantsch, and David G. CameronCite this: Anal. Chem. 1981, 53, 9, 1454–1457Publication Date (Print):August 1, 1981Publication History Published online1 May 2002Published inissue 1 August 1981https://pubs.acs.org/doi/10.1021/ac00232a034https://doi.org/10.1021/ac00232a034research-articleACS PublicationsRequest reuse permissionsArticle Views1086Altmetric-Citations295LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Noise in Fourier self-deconvolutionA general formula for computing changes in the signal-to-noise ratio of a spectrum resulting from the Fourier self-deconvolution procedure is derived. Self-deconvolution reduces the intrinsic halfwidths of lines by a factor K, which is in practice limited by the noise in the spectrum. With the help of the derived formula, the rate of decrease in the SNR as a function of K for eight different smoothing (apodization) functions is studied. With high K values there are significant differences in the SNR as a result of the use of different smoothing functions. With K = 4 a difference of more than 1 order of magnitude between two extreme cases is demonstrated, and with K = 5 a difference of almost 2 orders of magnitude in the SNR is predicted.
Precision in Condensed Phase Vibrational SpectroscopyAlgorithms for the computation of bandwidths, and center of gravity and least-squares frequencies are developed. The sources of error are discussed, and it is shown that the above parameters can be determined with maximum uncertainties of hundredths or thousandths of a wave number.
High sensitivity in gas analysis with photoacoustic detection