Experimental and vdW-DFT Study of the Structure, Properties and Stability of Isonicotinic Acid Self-Assembled Monolayers on Gold

O. E. LINAREZ PÉREZ

JOURNAL OF PHYSICAL CHEMISTRY C

AMER CHEMICAL SOC

Lugar: Washington; Año: 2016 vol. 120 p. 4364 - 4364

1932-7447

elf-assembling of derivatized aromatic molecules on metals is of interest in the generation of modified surfaces with ionisable groups in order to generate charged surfaces for constructing more complex nanostructured interfaces. In the present contribution we explore the structure, properties and stability of isonicotinic acid (INA) adsorbed on gold surfaces employing electrochemical and spectroscopic methods as well as DFT calculations at the level of van der Waals interactions (vdW-DFT). Electrochemical results show changes in the kinetics of redox probes due to the self-assembled monolayers (SAMS) formation on the gold surface. Furthermore, SERS experiments indicate that INA species adsorb on gold perpendicularly to the surface through the deprotonated carboxylate group. In addition, due to the ionisable groups involved in the molecular anchorage, some instability of the SAMS of INA is obtained by pH modification of the chemical environment. On the other hand, theoretical calculat