A DENSITY FUNCTIONAL THEORY INVESTIGATION OF THE SURFACE INTERACTION OF PROPOFOL DRUG WITH SILICON DECORATED C60 FULLERENE

The fullerenes and their derivatives have been widely used for the purpose of drug delivery sensor applications lately. Within fullerene family, C60 appears as most important one due to its versatile physical chemical properties. Propofol is an anesthetic with reduced cardiovascular risk. In framework this study, adsorption properties, nature interaction, some electronic properties including hardness electrophilicity index propofol silicon decorated system were examined. interaction was also monitored by examining vibrational spectroscopic changes at hydroxyl edge molecule. It observed that strongly adsorbed from site doped cage complex became more reactive following adsorption.