Science and Technology Production
DPG Spring Meeting 2014 - Predicting the mechanochemical behavior of multivalent thiol ligands on gold surfaces from free energy relationships
Congress
Date:
2014Publishing House and Editing Place:
Deutsche Physikalische GesellschaftSummary *
Free energy relationships have been widely used in physical organic chemistry in the past 50 years to predict the reactivity of molecules in solution. Recently, it has been shown that this kind of analysis can also be applied to molecular systems adsorbed on transition metal surfaces. In the last 10 years, we have been interested in our group in the mechanochemical properties of thiols adsorbed on metallic surfaces such us Au or Cu. We will present a significant amount of data that shows that the binding strength and the mechanical behavior of the thiol-gold bond can be predicted in terms of the electronic properties of the molecular systems and making use of free energy relationships. On one side, we have focused on monothiols, because they provide a straightforward way of tuning their electronic structure properties by means of changing a substituent in the molecule. On the other, we have also investigated multivalent thiolated molecules, which are more interesting from the point of view of their potential applications, such as providing the anchoring for biocompatible polymers used to coat gold nanoparticles in medical applications. Information provided by the agent in SIGEVAKey Words
DFTAU/S BONDMETAL/MOLECULE INTERFACEMECHANOCHEMISTRY