Absorption studies on serotonin neurotransmitter with the platinum metal cluster using the gas phase and different solvents, topological and non-covalent interaction: A DFT approach

Abstract

The absorption studies on serotonin (STO) and platinum metal clusters were investigated. The STO-Pt3 (gas phase) cluster has the maximum adsorption energy, whereas the water medium has the lowest. The gas phase STO-Pt3 absorption energy is -19.18 kcal/mol, while the water solvent is -11.03. The electrophilicity index of all metal-drug systems is greater, indicating that metal clusters make the serotonin more electrophilic. The cluster's conductivity representation as energy gaps pointed, suggesting it could be a sensor. A more stable gas phase medium has more negative solvation energies than other media types. The metal clusters and molecules interacted substantially in non-covalent interaction studies. Electron localized function (ELF) and localized orbital locator (LOL) experiments proved electron delocalization energies and reduced density gradient (RDG) confirmed non-covalent interactions. Molecular electrostatic potential shows the electrophilic and nucleophilic attractions of STO with Pt3 metal clusters. Frontier molecular orbital (FMO) studies show very low energy gap values.

Keywords

• Metal clusters
• Solubility investigation
• Density functional theory
• Reactive analysis
• Non-covalent interaction