Raw UV-vis absorption spectra of pH indicator dyes for singular-value analysis of overlapping chemical equilibria
Description
This dataset contains the raw UV-vis absorption spectra used in the study "From dyadic pH indicators to Congo Red: a stepwise singular-value analysis of increasingly overlapping chemical equilibria" (Tanaka, Kuwashima et al.). Each file is an Excel workbook in which the first column gives the wavelength in nanometres and each subsequent column gives the absorbance measured at one pH value, with the pH given in the header row. Spectra were recorded on a Shimadzu UV-2600 spectrophotometer at 25.0 ± 0.1 °C in 10 mm quartz cells, at ionic strength J = 0.10 mol L⁻¹ (NaCl) unless stated otherwise in the associated article. Each series was obtained from a single independently prepared sample set and measured once; replicate series were not recorded. Files and the figures they correspond to: 20160621MO-pH.xlsx — methyl orange (Figures 1, S1) 20150702MR-pH.xlsx — methyl red (Figures 2, S2) 20160106BPB-pH.xlsx — bromophenol blue (Figures 3, S3) 20170123TB-pH.xlsx — thymol blue (Figures 4, S4) 20150630MalachiteGreen.xlsx — malachite green (Figures 5, S5) 20150630MalachiteGreen2.xlsx — malachite green (Figures 5, S5) 20150824MO-MR-simulation.xlsx — spectra of methyl orange and methyl red combined numerically as a linear combination; this file contains simulated mixture spectra and not the measurement of a physical mixture (Figure S6) 20160114MR-BPB-pH.xlsx — equimolar methyl red–bromophenol blue mixture (Figures 6, S7) CRspectrum.xlsx — Congo Red (Figures 7, 8, S8); the "spectrum" sheet holds the matrix of 551 wavelengths (250–800 nm at 1 nm intervals) by 20 pH values (1.89–12.21) used for the singular value decomposition and the subsequent three-dimensional score-space analysis The code used for the decomposition is given in the Supplementary Information of the article.
Files
Institutions
- Tokyo University of ScienceTokyo, Tokyo