Reaction Mechanism
Systematic investigations of metal catalyzed phosphodiester hydrolysis pathways involving one or two metal ion(s) (for example, alkali, alkaline earth metals or Zn in particular)are considered. Reaction energies of such pathways and the estimation of bond cleaved/formed in the transition state(s) has further been inferred from the bond critical points in the MED topography. The influence ofsolvents on these reaction pathways are being studied.