Journal Article

FZJ-2017-06867

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Adsorption-induced symmetry reduction of metal-phthalocyanines studied by vibrational spectroscopy

Sforzini, J. ; Posseik, F. (Corresponding author)FZJ* ; Tautz, F. S.FZJ*

2017
Inst. Woodbury, NY

This record in other databases:    

Please use a persistent id in citations: http://hdl.handle.net/2128/15528  doi:10.1103/PhysRevB.96.165410

Abstract: We investigate the vibrational properties of Pt- and Pd-phthalocyanine (PtPc and PdPc) molecules on Ag(111) with high-resolution electron energy loss spectroscopy (HREELS). In the monolayer regime, both molecules exhibit long-range order. The vibrational spectra prove a flat adsorption geometry. The redshift of specific vibrational modes suggests a moderate interaction of the molecules with the substrate. The presence of asymmetric vibrational peaks indicates an interfacial dynamical charge transfer (IDCT). The molecular orbital that is involved in IDCT is the former Eg lowest unoccupied molecular orbital (LUMO) of the molecules that becomes partially occupied upon adsorption. A group-theoretical analysis of the IDCT modes, based on calculated vibrational frequencies and line shape fits, provides proof for the reduction of the symmetry of the molecule-substrate complex from fourfold D4h to C2v(σv), Cs(σv), or C2 and the ensuing lifting of the degeneracy of the former LUMO of the molecule. The vibration-based analysis of orbital degeneracies, as carried out here for PtPc/Ag(111) and PdPc/Ag(111), is particularly useful whenever the presence of multiple molecular in-plane orientations at the interface makes the analysis of orbital degeneracies with angle-resolved photoemission spectroscopy difficult.

---

Contributing Institute(s):

1. Quantum Nanoscience (PGI-3)

Research Program(s):

1. 523 - Controlling Configuration-Based Phenomena (POF3-523) (POF3-523)

Appears in the scientific report 2017

---

Database coverage:
; ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

---