Analytical Approximation of the Deconvolution of Strongly Overlapping Broad Fluorescence Bands

A method for deconvoluting strongly overlapping spectral bands into separate components that enables the uniqueness of the deconvolution procedure to be monitored was proposed. An asymmetric polynomial-modified function subjected to Fourier filtering (PMGFS) that allowed more accurate and physically reasonable band shapes to be obtained and also improved significantly the deconvolution convergence was used as the band model. The method was applied to the analysis of complexation in solutions of the molecular probe 4′-(diethylamino)-3-hydroxyflavone with added LiCl. Two-band fluorescence of the probe in such solutions was the result of proton transfer in an excited singlet state and overlapped strongly with stronger spontaneous emission of complexes with the ions. Physically correct deconvolutions of overlapping bands could not always be obtained using available software.