Abstract
The room temperature growth and ordering of copper(II) 2,9,16,23-tetra-tert-butyl-phthalocyanine(CuTtertBuPc) molecules on the Ag/Si(111)- surface have been investigated using scanning tunnelling microscopy/spectroscopy(STM/STS). Results indicate a well-ordered molecular layer in which the phthalocyaninemolecules have a flat orientation with the molecular plane lying parallel to the substrateand forming a dimer structure on the surface. STS data obtained from one monolayer (ML)of the CuTtertBuPc on the Ag/Si(111)- surface show excellent agreement with valence-band x-ray photoemission and x-rayabsorption spectra taken from thin films of CuTtertBuPc (10–20 ML) prepared in situ on theclean Si(111) substrate. Combining the spectroscopy results it was found that the highestoccupied molecular orbital (HOMO) of the CuTtertBuPc is the half-occupied MO ofb1g symmetry withmixed Cu 3d(x2–y2) and ligand 2p character which was confirmed by density functional theory calculationsand x-ray emission spectroscopy data.
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