Organic ligands: thermodynamic properties

Discrete values of the HKF model parameters for various organic aqueous species are listed in table 8.22. Table 8.23 lists standard partial molal thermodynamic properties and HKF model parameters for aqueous metal complexes of monovalent organic acid ligands, after Shock and Koretsky (1995). 

Shock E. L. and Koretsky C. M. (1995). Metal-organic complexes in geochemical processes Estimation of standard partial molal thermodynamic properties of aqueous complexes between metal cations and monovalent organic acid ligands at high pressures and temperatures. Geochim. Cosmochim. Acta, 59 1497-1532. 

The present review does not include any compounds or complexes containing organic ligands. This class of compounds is the subject of a separate review in the NEA-TDB series. Neither are the thermodynamic properties of vitreous forms of the compounds considered in the review. 

Quantum chemistiy methods apply quantum mechanics to solve problems in chemistiy. For physical chemists, quantum chemistiy is employed to calculate the thermodynamic properties of gases, to interpret molecular spectra, to calculate properties of transition states in chemical reactions, to understand intermolecular forces, and to deal with bonding in solids. Organic chemists use quantum chemistiy to evaluate the relative stabilities of molecules, to investigate the mechanisms of chemical reactions, and to analyze NMR speetra while inorganic chemists use quantum chemistiy together with ligand field theory to predict and explain the properties of transition-metal eomplexes. 

Overall, the review deals mainly with the chemistry in aqueous media, with occasional mention to work in organic solvents. Cyanometallate complexes are known to display profound changes in their electronic structure and reactivity when dissolved in solvents with different acceptor capability, associated with the donor properties of the exposed electron pairs at the cyano ligands (15). These specific interactions are also related to the role of cationic association in the thermodynamics and kinetics of the reactions involving cyano complexes (16). 

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