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Digital analysis of electronic absorption spectra






Analytical Chemistry 49(11): NO PAGE

Digital analysis of electronic absorption spectra

The advantages of digital acquisition of spectrophotometric data and method of computation are reviewed. The analysis of multicomponent spectra is considered. Spectra of all pure components of a mixture are known, and only their concentrations are unknown. Spectra of 1 or more components and 1 or more equilibrium constants are unknown. A chemical model is used to relate the concentrations. The correctness of the chemical model can be tested, and the constants and spectra evaluated. Nonlinear effects such as band broadening, frequency shifts and changes in molar absorptivity occur along with changes in concentrations. Quantitative descriptions of such spectra using analytical functions such as the lognormal distribution curve or empirical spline functions are presented. The various cases are illustrated by examples published from the authors' laboratories.

Accession: 005161830

DOI: 10.1021/ac50019a001

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