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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 4489-4495 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: X-ray photoelectron spectroscopy (XPS) and near-edge x-ray absorption fine structure (NEXAFS) have been used to study the core and unoccupied orbitals of condensed multilayers of biphenyl and bithiophene on Cs dosing. The CK XPS shifts, observed on dosing are understandable in terms of repositioning of the Fermi level due to creation of states in the band gap, and at higher Cs concentrations to the high polarizability of the charge transfer complexes formed. The behavior of the CK XPS satellites on increasing Cs exposure are related to changes observed in the electron energy loss spectra (EELS). The CK NEXAFS of biphenyl and the SL23 NEXAFS of bithiophene indicate that an unoccupied molecular orbital is filled by charge transfer from Cs. In the case of bithiophene, both the SL23 XPS and NEXAFS features shift by 2 eV to lower binding and adsorption energy, respectively. This strong chemical shift suggests significant localization of the transferred charge on the S sites. Comparison of the SL23 NEXAFS of doped and undoped bithiophene allows the identification of the unoccupied orbital with S character and leads to a reassignment for the NEXAFS features of thiophene and its oligomers.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 6210-6216 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this paper, three distinct phases of biphenyl on the Pd (110) surface are characterized and studied by angle-resolved ultraviolet photoemission (ARUPS); a disordered condensed multilayer which desorbs at 218 K, a bilayer that desorbs at 240 K, and a strongly bound monolayer which breaks up at the surface for temperatures greater than 400 K. The multilayer ultraviolet photoemission (UP) spectrum is almost identical to that of the gas phase spectrum and it is inferred that the torsional angle between the phenyl rings in the condensed phase is unaltered from that in the gas phase. Changes observed in the π orbital emissions on the formation of the bilayer indicate a significant reduction in the torsional angle. Application of the selection rules for ARUPS to the strong angular effects observed in the emissions from the highest-lying π orbitals suggests that the molecules in this second layer have their molecular axes parallel to and molecular planes perpendicular to the surface, that is, edge-on to the molecules in the monolayer which are shown to be flat lying to the metal surface and bonded via the π orbitals.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 3276-3279 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: It is proposed to investigate geometric arrangements in chemisorption systems by standardized force fields. This "molecular modeling'' technique is particularly simple to apply to densely packed adsorption layers with dominating nonbonding interactions where the substrate essentially acts as a template for interadsorbate distances. The approach is exemplified for Ni(110/c(2×2)C2N2. Tilting of the molecular axis by about 20–30 degrees with respect to the surface (the molecules oriented perpendicularly to the troughs) is deduced, supporting a corresponding interpretation of angular resolved photoemission data.
    Type of Medium: Electronic Resource
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