Repozytorium
Wyszukaj
Kolekcje
Inne
Resolution enhancement in second-derivative spectra.
Autorzy
Rok wydania
2015
Czasopismo
Numer woluminu
69
Strony
67-74
DOI
10.1366/14-07568
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
Derivative spectroscopy is a powerful tool for the resolution enhancement in infrared, near-infrared, Raman, ultraviolet-visible, nuclear magnetic resonance, electron paramagnetic resonance, and fluorescence spectroscopy. Despite its great significance in analytical chemistry, not all aspects of the applications of this method have been explored as yet. This is the first systematic study of the parameters that influence the resolution enhancement in the second derivative spectra. The derivative spectra were calculated with the Savitzky-Golay method with different window size (5, 15, 25) and polynomial order (2, 4). The results obtained in this work show that the resolution enhancement in the second derivative spectra strongly depends on the data spacing in the original spectra, window size, polynomial order, and peak profile. As shown, the resolution enhancement is related to variations in the width of the peaks upon the differentiation. The present study reveals that in order to maximize the separation of the peaks in the second derivative spectra, the original spectra should be recorded at high resolution and differentiated using a small window size and high polynomial order. However, working with the real spectra one has to compromise between the noise reduction and optimization of the resolution enhancement in the second derivative spectra.
Adres publiczny
Podobne publikacje
Vibrational spectra and second harmonic generation in molecular complexes of L-lysine with L-tartaric, D,L-malic, acetic, arsenous, and fumaric acids.
Marchewka Mariusz K., Debrus S., Ratajczak Henryk
Resolution enhancement and band assignments for the first overtone of OH stretching modes of butanols by two-dimensional near-infrared correlation spectroscopy.2.Thermal dynamics of hydrogen bonding in n- and tert-butyl alcohol in the pure liquid states.
Czarnecki Mirosław A., Maeda H., Ozaki Yukihiro, Suzuki M., Iwahashi M.
Extension of high-resolution optical absorption spectroscopy to divalent neodymium : absorption spectra of Nd2+ ions in a SrCl2 host.
Karbowiak Mirosław, Rudowicz Czesław, Cichos Jakub