The progress of many reactions can be followed by taking time-series ultraviolet-visible (UV-vis) absorbance spectra. Important information about a mechanism can be obtained from such series. Given experimental time-series absorbance spectra and a proposed mechanism, a method for simulating timeseries absorbance spectra using the computer program Chemical Kinetics Simulator (CKS) and a spreadsheet is proposed. Time series absorbance spectra of the reaction of 1x10-4 M chenodeoxycholic acid in 74.7% (w/w) H2SO4/H20 at 60.0 °C was used as the test case. This method is expected to be useful in the evaluation of mechanisms derived from time-series absorbance spectra.
Cornejo, Amarillis Andrea and Menzmer, Mitch, "Modeling Time-Series Absorbance Spectra" (2009). Senior Research Projects. 172.