Issue 2, 1993

EQNMR: a computer program for the calculation of stability constants from nuclear magnetic resonance chemical shift data

Abstract

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 proton mM +nL +jH ⇌ MmHjLn(i), βmjn=[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.

Article information

Article type
Paper

J. Chem. Soc., Dalton Trans., 1993, 311-312

EQNMR: a computer program for the calculation of stability constants from nuclear magnetic resonance chemical shift data

M. J. Hynes, J. Chem. Soc., Dalton Trans., 1993, 311 DOI: 10.1039/DT9930000311

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