Computational studies of the electronic, conductivities, and spectroscopic properties of hydrolysed Ru(II) anticancer complexes

- We computed the spectroscopic and conductivity properties of Ru(II) anticancer complexes.
- Complexes geometries were optimised with PBE0 hybrid DFT.
- QTAIM was used to analyse the spectroscopic properties and thermodynamic changes.
- Mechanism of hydrolysis and anticancer properties were compared.