The Role of the Various Solvent Polarities on Piperine Reactivity and Stability

Piperine is a natural cytotoxic agent aware of various therapeutic acts. The aim this study to look into the effects solvent polarity on solvent-free energy, dipole moment, polarizability, and hyper-polarizability first order, as well molecular properties including chemical hardness softness, potential, electronegativity, electrophilicity index, in order gain better understanding its reactivity stability. Becke, 3-parameter, Lee-Yang-Parr (B3LYP) level theory with cc-pVDZ basis set was used perform all forms calculations both gas phase solution. Solvation Model Density (SMD) measure solvation-free five systems: water, DMSO, ethanol, cyclohexane, heptane. As dielectric constant reduced, solving energies gradually decreased, i.e. free energy decreased declining polarity. Piperine's moment has been found increase when transitioning from non-polar polar solvents. piperine greater than that PPN's increased increased, while polarizability decreased. In addition, hardness, potential index were solvent, but rise for PPN molecule, softness electronegativity increased. determined solvation, identified research may contribute an stability specific systems.