2025/01/01 by Abdalazeem A. Omar, Yasser R. Elmarassi, M. Saadawy +2 · 1 voice
Chemistry · Materials Science · Medicine · #Lanthanide and Transition Metal Complexes #Metal complexes synthesis and properties #Organometallic Complex Synthesis and Catalysis
paper · pdf · doi:10.1515/chem-2025-0180
openalex publication_date 2025/01/01 · openalex created_date 2025/07/10 · openalex updated_date 2026/06/26
Abstract Understanding the stability of metal–ligand complexes is essential for advancing applications in environmental, industrial, and biomedical chemistry; however, titanium coordination systems remain underexplored, particularly with organic ligands of chelating properties. This study aims to evaluate and compare the stability constants of titanium ( iv ) complexes with propanoic acid and citric acid to better understand their coordination behavior. A multi-method computational approach was employed, integrating point-wise calculation, half-integral, linear plot, and least-squares methods to enhance the accuracy and reproducibility of proton–ligand dissociation constants (p K a ) and metal–ligand formation constants (log K ). The titanium–propanoate complexes showed moderate stability (log K 2 = 4.7564, log K 3 = 4.1015), influenced by steric and electronic factors, while the titanium–citrate complex exhibited a higher binding affinity (log K 1 = 7.8351), indicating strong chelation capacity. The consistency across all computational and graphical methods validates the reliability of the findings. These insights provide a dependable framework for evaluating titanium-based coordination compounds and may guide future research into their potential applications in environmental and biomedical fields.