EQNMR:
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J. Chem. Soc., Dalton Trans., 1993, 311 - 312,DOI:10.1039/DT9930000311
EQNMR: a computer program for the calculation of stability constants from nuclear magnetic resonance chemical shift data
Michael J. Hynes
A computer program has been elaborated which uses the complexation-induced displacements of NMR chemical shifts to calculate the stability constants for the general reaction (i) which gives the generalised stability constant (ii). The program can deal with data from a wide variety of reactions including protonmM +nL +jH
MmHjLn(i),
mjn=[MmHjLn]/[M]m[H]j[L]n(ii) equilibria, metal-ion hydrolysis and metal–ligand interactions. It can also deal with situations where both ligand proton equilibria and complex-formation reactions must be considered.===========
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