Self-assembled monolayers of mesoionic triazolylidene dimers on Au(111).

ABSTRACT: Mesoionic carbenes (MICs) hold great promise as surface ligands, due to their electronic properties and charge distribution, yet their self-assembly rules remain essentially unexplored. Here we combine synchrotron X-ray photoelectron and absorption spectroscopies, scanning-tunnelling microscopy, and density-functional theory to map, atom by atom, the self-assembly of 1,2,3-triazolylidene MICs on Au(111). We discover that the molecules adsorb flat, pair via a shared Au adatom, and form two highly ordered phases whose lattice constants differ by ∼5%. The resulting monolayers reach high coverages (1.4-1.5 molecules per nm²) while retaining long-range order. X-ray photoelectron spectroscopy and near-edge X-ray absorption fine structure reveal pronounced charge transfer into t

SUBMITTER: Berg I 

PROVIDER: S-EPMC12550663 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature