Molecular distortion of NTCDA upon adsorption on Ag(111): a normal incidence x-ray standing wave study

Abstract

We investigated the adsorption geometry of the model system NTCDA (1,4,5,8-naphthalin-tetracarboxylicacid-dianhydride) on Ag(111) using the normal incidence x-ray standing wave (NIXSW) technique. For the relaxed monolayer structure a significant vertical distortion of the molecule is found upon adsorption. The carboxylic oxygen atoms at the corners of the molecule are located 0.25(3) Å closer to the topmost Ag atoms than the naphthalene core at 2.997(16) Å. This distortion effect is similar to that of the larger mole- cule (3,4,9,10-perylene tetracarboxylicacid-dianhydride) (PTCDA)/Ag(111) (Hauschild A et al 2005 Phys. Rev. Lett. 95 209602), but the chemisorptive bonding is weaker. Our structural investigation is based on photoelectron and Auger emission NIXSW data, the independent measurement of which allows us to correct in a self-consistent way for non-dipolar contributions to the photoelectron yield as well as for electron induced Auger processes, two effects which may significantly influence the structural results if not considered.