Research Group
Sivvu (TM)

Sivvu logo (TM)

Written by Prof. Douglas A. Vander Griend & Michael J. DeVries

'the name says it all'

Sivvu (TM), which is UVvis backwards, is a set of Matlab protocols with an easy-to-use graphical interface that can take composite spectroscopic data and deconvolute it into information about the pure chemical species, without having to chemically isolate them.

Absorbance Data

The graph at the left shows absorbance data as a ligand solution is titrated into a metal cation solution. This type of data is relatively easy to obtain, and represents the sum of the absorbances of all the species, in proportion to their equilibrium concentration, that occur during the titration.

Molar Absorptivity

The molar absoptivity of all the unique chemical species is one of the outputs of the program. In this case, there are three additional factors after the unassociated ligand and solvated metal cation.

Concentration Profiles
The program requires all the species in every solution to be in equilibrium. This graph shows the concentration profiles of the absorbing species through the course of the titration. The user provides the chemical reactions, but Sivvu will optimize their free energies.
This colorful graph is the difference between the observed absorbances and those calculated by summing the product of the molar absorptivities and concentration of all the absorbing species. Ultimately it is this residual that Sivvu minimizes.
Sivvu (TM) Manual