NECTAR - WG1

WG1

NECTAR for highly hydrolysable (HHC) and/or low-valence state (LVC) cations

Equilibrium analysis of systems containing highly hydrolysable or low-valence state cations is always very challenging.
Typical bottlenecks, inadequate for the interpretation of phenomena at specific conditions, are:

Difficult experimental set-up (e.g., formation of sparingly soluble species for HHC, oxidation for LVC in the presence of traces of dioxygen or other oxidants, etc.).
Lack of reliable literature data (e.g., unreliable speciation models, missing and/or questionable thermodynamic parameters, literature discrepancies, etc.).
Narrow ranges of experimental conditions explored to date (e.g., temperature, ionic media and ionic strengths, presence of competing ligands, etc.).

Leaders

Tasks

Defining precise strategies for the study in solution of systems containing HHC (e.g., Zr(IV), lanthanoids, actinoids, oxoions).
Defining procedures and experimental approaches for the study of LVC (e.g., Fe(II), Sn(II), Cu(I)), especially those spectroscopically silent (e.g. Cu(I)).
Providing protocols for the study of the speciation of HHC and LVC under conditions of interest for biological, environmental and technologically/industrial applications.
Providing reliable, accurate and comprehensive sets of thermodynamic data of systems containing HHC and LVC in a wide range of different experimental conditions.

Activities

Determination of the hydrolysis constants (and other thermodynamic parameters) of HHC and LVC.
Study of complexes of HHC and LVC: speciation, solubility, kinetics of formation, redox properties.
Structural study and correlation of structural information of the complexes with solution properties.
Modelling of the speciation of the complexes as a function of different conditions (e.g., total cation concentration, pH, pe, ionic strength, system composition, temperature).
Validation of data through interlaboratory and blind round-robin experiments to check reliability and consistency of results obtained.
Dissemination of results, especially those related with experimental procedures.

Outcome

One of the main outcomes of Working Group 1, the recopilation of the hydrolisis contants of a series of elements, is summarised in the periodic table shown in the Outcome section.

Members

Dr Maria-Rosa Becca - Institut de Chimie de Nice
Dr Elvira Bura-Nakić - Ruđer Bošković Instute
Dr Montserrat Filella - University of Geneva
Prof Josep Galceran - Universitat de Lleida
Dr Sofia Gama - University of Bialystok, Faculty of Chemistry
Prof Elzbieta Gumienna-Kontecka - University of Wrocław
Prof Petr Hermann - Charles University
Dr Olga Iranzo - Institut des Sciences Moléculaires de Marseille
Dr Aleksandra Jedynczuk - University of Wrocław
Ms Lucija Knežević - Ruđer Bošković Institute
Prof Gabriele Lando - University of Messina
Prof Premysl Lubal - Masaryk University
Dr Michel Meyer - CNRS
Prof Demetrio Milea - Università degli Studi di Messina
Dr Andrzej Mular - University of Wroclaw
Dr Matteo Savastano - Università degli Studi di Firenze
Dr Vladimir Sladkov - Institute of Nuclear Physics of Orsay
Dr Kamila Stokowa-Sołtys - University of Wrocław
Prof Matteo Tegoni - University of Parma
Ms Yuliya Toporivska - University of Wrocław
Dr Zuzana Vargova - Pavol Jozef Šafárik University in Košice
Dr Emanuele Zanda - Université Paris-Saclay-CNRS
Dr Veronika Zinovyeva - Institute of Nuclear Physics of Orsay