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  • 1
    Electronic Resource
    Electronic Resource
    Correlation states of ethylene (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 6385-6399 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: High resolution synchrotron photoelectron spectra (PES) of ethylene have been obtained at several photon energies in the range 30 to 220 eV. Further evidence is presented that the correlation (satellite) peak at 27.4 eV binding energy is "intrinsic'' in nature. A new correlation peak at 21.4 eV binding energy, however, is found to be a "dynamic'' correlation. Several PES of 1-13C-ethylene have also been obtained and have been found to be identical to those of normal ethylene. Both of the correlation peaks are also present in the labeled species with similar photon energy behaviors. Sophisticated theoretical calculations are found to agree quantitatively with the experimental PES spectra. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469354
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  • 2
    Electronic Resource
    Electronic Resource
    Study of correlation states of acetylene by synchrotron photoelectron spectroscopy (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 10537-10547 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The inner valence photoelectron spectra of acetylene (C2H2) and isotopically labeled acetylene (1,213C–C2H2) are obtained using high resolution synchrotron photoelectron spectroscopy. Four distinct correlation (satellite) peaks, consistent with previous x-ray photoelectron spectroscopy measurements, are resolved. The photon energy dependence of the intensity ratios of these satellites to the 2σ−1g main peak is observed over a wide photon energy range (32–72 eV). Three of these satellites (26.6, 28.0, and 29.8 eV binding energy) exhibited constant photon energy dependence while the fourth satellite (31.2 eV binding energy) showed enhancement of intensity towards the threshold. The photon energy dependence of correlation (satellite) peak 4 can be explained in either of two ways: (1) Peak 4 is a dynamic correlation peak associated with the 2σ−1g ionization process or (2) peak 4 is an intrinsic correlation peak associated with the 3σ−1g ionization process. A multireference singles and doubles configuration interaction (MRSDCI-ANO) calculation of the theoretical photoelectron inner valence spectrum using average natural orbitals indicates that the latter explanation (2) is more likely. Semiquantitative agreement (in terms of the peak positions and intensities) is also obtained between the experimental photoelectron spectrum and the MRSDCI(ANO) calculation. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469837
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Correlation states of propene (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 107 (1997), S. 4295-4306 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: High resolution synchrotron photoelectron spectra (PES) of propene (C3H6) have been obtained at several photon energies (40–70 eV). The full valence shell binding energy spectrum reveals a well resolved correlation (satellite) peak at 20.3 eV and the photon energy dependence study of its photoionization cross section indicates that this new correlation peak is a "dynamic" correlation peak. MRSDCI calculations of the theoretical spectrum show semi-quantitative agreement between experiment and theory in terms of binding energies and intensities. A comparison of the full valence shell photoelectron spectra of ethylene, propene, 1-butene and 1,2-propadiene (allene) is also presented to illustrate trends in the correlation peaks of model alkenes. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.474770
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    Paper (German National Licenses)
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