Curve-fitting and deconvolution methods applied to spectroscopic measurements in simple two-state chemical systems: Acid-base indicators

CHED 261

Chona dela Cruz, cho_delacruz@yahoo.com, Héctor-Eduardo Mendoza Solano, templarium@gmail.com, and David R. Brown, dbrown@swccd.edu. Department of Chemistry, Southwestern College, 900 Otay Lakes Road, Chula Vista, CA 91910-7299
The use of UV-Visible spectrophotometry to determine the pH of a buffer solution is commonly undertaken in undergraduate courses in Analytical Chemistry. This often entails a tedious method of measuring absorbances from multiple solutions, ultimately leading to a need to solve simultaneously two absorbance equations with two unknown concentrations. This project was a consequence from attempts to simplify the process of applying spectrophotometry to determine solution pH and involves deconvolution of overlapping spectral peaks in order to integrate individual peak areas. This technique was applied to a variety of acid-base indicators and provides a methodological framework for other two-state systems where the problem of overlapping spectral peaks can be resolved to yield valuable information. Comparisons of accuracy and simplicity between various spectroscopic methods are presented, along with thermodynamic quantities linked to proton dissociations as determined via Van't Hoff plots.