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

MARÍA LAURA PARA; OMAR E. LINAREZ PÉREZ; MARIANA I. ROJAS; M. LÓPEZTEIJELO

JOURNAL OF PHYSICAL CHEMISTRY C

AMER CHEMICAL SOC

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

1932-7447

elf-assembling of derivatized aromatic moleculeson metals is of interest in the generation of modifiedsurfaces with ionizable groups in order to generate chargedsurfaces for constructing more complex nanostructuredinterfaces. In the present contribution we explore the structure,properties, and stability of isonicotinic acid (INA) adsorbed ongold surfaces employing electrochemical and spectroscopicmethods as well as DFT calculations at the level of van derWaals interactions (vdW-DFT). Electrochemical results showchanges in the kinetics of redox probes due to the selfassembledmonolayers (SAMS) formation on the gold surface.Furthermore, SERS experiments indicate that INA speciesadsorb on gold perpendicularly to the surface through the deprotonated carboxylate group. In addition, due to the ionizablegroups involved in the molecular anchorage, some instability of the SAMS of INA is obtained by pH modification of the chemicalenvironment. On the other hand, theoretical calculations indicate