The first paper from the Projects results was published in a scientific journal – the first results were published in the Journal of Molecular Structure (IF2021=3,841).
Our published results describe two Co(III) complexes with similar ligands that coordinate differently to the central metal ion. Calculations revealed the thermodynamic stability of obtained complexes. More details about the paper are on the Results page.
The paper presents our continuous efforts to rationalize the coordination preferences of the ligands. We do not want only to report that some molecule has a particular structure – we want to know why it is like that. Only then rationally improved materials can be developed. For this purpose, we synthesized and characterized transition metal complexes, elucidated their structures by crystallographic studies, and performed quantum chemical calculations.
We thank all the co-authors for their valuable contribution.
