Surface‐Induced Dechlorination of FeOEPCl on Cu(111)

Abstract

To be or not to be chlorinated: When octaethylporphyrin iron(III) chloride (FeOEPCl) molecules are sublimated onto Cu(111) surfaces, two different molecular species are observed through scanning tunneling microscopy, showing either a protrusion or a depression at the center. In combination with van der Waals‐corrected density functional calculations, our experiments reveal that one species corresponds to FeOEPCl molecules with the chlorine atom pointing away from the surface, whereas the other species has been dechlorinated.

Communication: Substrate induced dehydrogenation: Transformation of octa-ethyl-porphyrin into tetra-benzo-porphyrin

“…In another study 25 we could show that the majority, if not all, of the molecules are leaving the source intact, i.e., with the chlorine atom. However, upon adsorption on the Cu(111) surface about 50% of the molecules loose the chlorine atom.…”

Surface chemistry of porphyrins and phthalocyanines

“…The two species were distinguished by a central protrusion, which was attributed to (Cl)FeOEP. On the terraces, most of the molecules were (Cl)FeOEP, while atomic steps of the substrate were decorated with FeOEP [534].…”

Adsorption Behavior of Nonplanar Phthalocyanines: Competition of Different Adsorption Conformations

“…Although our simulations do not focus on elucidating the detailed mechanism of the dechlorination reaction, it is worth mentioning that some mechanistic insight can be gained from previous studies on related systems. 21 , 46 …”

“…By means of calculations, it becomes relatively straightforward to test scenarios that usually are not automatically considered, including the dissociation of the adsorbed material. 21 …”