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Inhomogeneous charge transfer within monolayer zinc phthalocyanine absorbed on TiO2(110)

Yu, Shun; Ahmadi, Sareh; Sun, Chenghua; Adibi, Pooya Tabib Zadeh; Chow, Winnie; Pietzsch, Annette LU and Gothelid, Mats (2012) In Journal of Chemical Physics 136(15).
Abstract
The d-orbital contribution from the transition metal centers of phthalocyanine brings difficulties to understand the role of the organic ligands and their molecular frontier orbitals when it adsorbs on oxide surfaces. Here we use zinc phthalocyanine (ZnPc)/TiO2(110) as a model system where the zinc d-orbitals are located deep below the organic orbitals leaving room for a detailed study of the interaction between the organic ligand and the substrate. A charge depletion from the highest occupied molecular orbital is observed, and a consequent shift of N1s and C1s to higher binding energy in photoelectron spectroscopy (PES). A detailed comparison of peak shifts in PES and near-edge X-ray absorption fine structure spectroscopy illustrates a... (More)
The d-orbital contribution from the transition metal centers of phthalocyanine brings difficulties to understand the role of the organic ligands and their molecular frontier orbitals when it adsorbs on oxide surfaces. Here we use zinc phthalocyanine (ZnPc)/TiO2(110) as a model system where the zinc d-orbitals are located deep below the organic orbitals leaving room for a detailed study of the interaction between the organic ligand and the substrate. A charge depletion from the highest occupied molecular orbital is observed, and a consequent shift of N1s and C1s to higher binding energy in photoelectron spectroscopy (PES). A detailed comparison of peak shifts in PES and near-edge X-ray absorption fine structure spectroscopy illustrates a slightly uneven charge distribution within the molecular plane and an inhomogeneous charge transfer screening between the center and periphery of the organic ligand: faster in the periphery and slower at the center, which is different from other metal phthalocyanine, e. g., FePc/TiO2. Our results indicate that the metal center can substantially influence the electronic properties of the organic ligand at the interface by introducing an additional charge transfer channel to the inner molecular part. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3699072] (Less)
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publication status
published
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in
Journal of Chemical Physics
volume
136
issue
15
publisher
American Institute of Physics
external identifiers
  • wos:000303147000034
  • scopus:84860168047
ISSN
0021-9606
DOI
10.1063/1.3699072
language
English
LU publication?
yes
id
0f63778a-d25c-4388-bfa2-3b127d497dbd (old id 2569442)
date added to LUP
2012-06-01 13:36:15
date last changed
2017-08-20 03:19:28
@article{0f63778a-d25c-4388-bfa2-3b127d497dbd,
  abstract     = {The d-orbital contribution from the transition metal centers of phthalocyanine brings difficulties to understand the role of the organic ligands and their molecular frontier orbitals when it adsorbs on oxide surfaces. Here we use zinc phthalocyanine (ZnPc)/TiO2(110) as a model system where the zinc d-orbitals are located deep below the organic orbitals leaving room for a detailed study of the interaction between the organic ligand and the substrate. A charge depletion from the highest occupied molecular orbital is observed, and a consequent shift of N1s and C1s to higher binding energy in photoelectron spectroscopy (PES). A detailed comparison of peak shifts in PES and near-edge X-ray absorption fine structure spectroscopy illustrates a slightly uneven charge distribution within the molecular plane and an inhomogeneous charge transfer screening between the center and periphery of the organic ligand: faster in the periphery and slower at the center, which is different from other metal phthalocyanine, e. g., FePc/TiO2. Our results indicate that the metal center can substantially influence the electronic properties of the organic ligand at the interface by introducing an additional charge transfer channel to the inner molecular part. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3699072]},
  author       = {Yu, Shun and Ahmadi, Sareh and Sun, Chenghua and Adibi, Pooya Tabib Zadeh and Chow, Winnie and Pietzsch, Annette and Gothelid, Mats},
  issn         = {0021-9606},
  language     = {eng},
  number       = {15},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Inhomogeneous charge transfer within monolayer zinc phthalocyanine absorbed on TiO2(110)},
  url          = {http://dx.doi.org/10.1063/1.3699072},
  volume       = {136},
  year         = {2012},
}