Growth of zinc phthalocyanine onto ZnS film investigated by synchrotron radiation-excited X-ray photoelectron and near-edge absorption spectroscopy

Zhang, L.; Peisert, Heiko; Biswas, Indro; Knupfer, M.; Batchelor, David; Chassé, Thomas

doi:10.1016/j.susc.2005.08.022

Cited by 49 publications

(45 citation statements)

References 38 publications

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“…The ratio between the pyrrole and benzene carbon contributions in PES depends on the surface sensitivity and molecular orientation. 22 For N1s, only one dominant peak appears at 398.8 eV, accompanied by a weak shake-up structure at 1.8 eV higher binding energy, which is close to the HOMO/LUMO gap. 23 Spectra from films in the monolayer region display completely different line profiles.…”

Section: Photoelectron Spectroscopymentioning

confidence: 83%

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

Ahmadi

Sun

et al. 2012

The Journal of Chemical Physics

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Adsorption geometry, molecular interaction, and charge transfer of triphenylamine-based dye on rutile TiO2 (110) 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)/TiO 2 (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/TiO 2 . 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.

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Section: Photoelectron Spectroscopymentioning

confidence: 83%

“…At 3.8 ML, the line profiles in the π * region from the two polarizations resemble each other and are also consistent with previously reported results for ZnPc. 22,49,50 One can estimate the molecular tilt angle to 33…”

Section: Nexafsmentioning

confidence: 99%

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

Ahmadi

Sun

et al. 2012

The Journal of Chemical Physics

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“…[41][42][43][44] However, it has recently been reported that improved curve fitting can be made by splitting the benzene carbon peak into two weighted components ͑along with their corresponding shake-up satellites͒ ϳ0.4 eV apart from each other. 45 This separation could be either due to the electronegative difference between the local environments of the C 2 and C 3,4 carbon atoms of the CuPc ͑i.e., three compared to two C nearest neighbors͒ giving an additional chemical shift, 46,47 due to the excitation of an in-plane C-H stretching vibrational mode following the excitation of the photoelectron from the C 1s level for the nonfluorinated Pc, 25 or due to differences in screening on each of the C atoms. In the fluorinated case the in-plane C-F stretching mode is reduced to ϳ0.18 eV from 0.38 eV for C-H in CuPc and an additional peak due to this vibrational loss is no longer vital to achieve a good fit to the C 1s photoemission spectrum.…”

Section: X-ray Photoemissionmentioning

confidence: 99%

Soft x-ray spectroscopy study of the element and orbital contributions to the electronic structure of copper hexadecafluoro-phthalocyanine

et al. 2010

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“…[23] The derived binding energies of the peak components are listed in Table 1. We note that possible satellite features in the spectra as observed, for example, for phthalocyanines [24] are not taken into consideration, since the optical gap for DNA bases is large (approximately 4.44-4.64 eV for cytosine and thymine). [14] Therefore, such features are expected to occur well separated at higher BEs.…”

Section: X-ray Photoemission Spectroscopymentioning

confidence: 99%

Thin‐Film Properties of DNA and RNA Bases: A Combined Experimental and Theoretical Study

et al. 2008

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The structures of the DNA and RNA bases cytosine, uracil, and thymine in thin films with a nominal film thickness of about 20 nm are studied by using X-ray photoemission spectroscopy (XPS) and Fourier-transform infrared spectroscopy. The molecules are evaporated in situ from powder on a gold foil. The experimental results indicate that cytosine is composed of two energetically close tautomeric forms, whereas uracil and thymine exist in only one tautomeric form. Additionally, quantum chemical calculations are performed to complement the experimental results. The relative energies of the tautomeric forms of cytosine, uracil, and thymine are calculated using Hartree-Fock (HF), density functional theory (DFT), and post-HF methods. Furthermore, the assignment of the XPS spectra is supported by using simple model considerations employing Koopmans ionization energies and Mulliken net atomic charges.

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Growth of zinc phthalocyanine onto ZnS film investigated by synchrotron radiation-excited X-ray photoelectron and near-edge absorption spectroscopy

Cited by 49 publications

References 38 publications

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

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

Soft x-ray spectroscopy study of the element and orbital contributions to the electronic structure of copper hexadecafluoro-phthalocyanine

Thin‐Film Properties of DNA and RNA Bases: A Combined Experimental and Theoretical Study

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