We are carrying out fluorescence measurement to determine the interaction between out organic analites and Metals, so that we can develope new chemosensors. Most of our compounds shows a 1:1 equilibrium, according to JobPlot, but, in two particular cases, JobPlots gives 2:1 or 3:2 equilibria. For 1:1 cases we just use the Benesi-Hildebrand method, but, for the other cases, we don't know how to proceed. Does anyone can help me? Thanks
Holá Julio,
There are many free programs for that but practically all of it has some weaknesses.
I could successfully use WinEQNMR2. After downloading you need to get a password from Prof. Hynes ([email protected]). He will surely give it to you. It works also under Win10 (but you need to install it to c:\wineqnmr2).
I know that the following programs can be also used but as far as I know not all of it is able to calculate complexes of a higher order. I gave up most of them after some trials them because I needed a more NMR specific program and I found wineqnmr2 working very well for my purposes.
Stand-alone programs: Dynafit, psequad, sirko, CHEMEQL, MICROQL, OPIUM, ReactLab EQSIM, and CALCK, etc. but CALCK should be compiled.
EST and Datafit are spreadsheet programs.
And k-ev is a web based tool
I would also recommend you the publication of Hardgrove (DOI: 10.1039/b9nj00498j). Based on this article you can try to use Excel's solver (but unfortunately the solver needs many time many attempts to find good starting values).
It is not a problem if you have some experiences in mathematics, excel macros or programming languages. And, many times you need to use DOSBox (for running old dos based programs).
Good luck,
Laszlo
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