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  • 1
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    Behaviour of turbidity maxima in the Tamar (U. K.) and Weser (F. R. G.) estuaries (1997)
    In:  EPIC3Estuarine Coastal and Shelf Science, volume 45, pp, pp. 235 - 246
    Details
    Publication Date: 2019-07-17
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev
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  • 2
    Electronic Resource
    Electronic Resource
    Photoionization of the 3σ and 1π orbitals of CH (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 536-540 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report the results of theoretical studies of photoionization cross sections and photoelectron angular distributions for the 3σ and 1π levels of CH leading to the A 1Π, a 3Π, and X 1Σ+ molecular ions. The calculations employed multiplet-specific Hartree–Fock potentials and numerical photoelectron continuum orbitals, obtained using the iterative Schwinger variational method. Noticeable nonstatistical behavior of the cross sections is seen for the 3σ level near threshold, although deviations are not significant at higher photon energies. A comparison with some previous theoretical studies is made.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.458456
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  • 3
    Electronic Resource
    Electronic Resource
    Vibrational state dependence of ionic rotational branching ratios in resonance enhanced multiphoton ionization of CH (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 1374-1376 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We show that rapid evolution of a Rydberg orbital with internuclear distance in a resonance enhanced multiphoton ionization (REMPI) process can have a profound influence on the production of molecular ions in alternative rotational states. This is illustrated by calculations of ionic rotational branching ratios for (2+1') REMPI via the O11 (20.5) branch of the E' 2Σ+(3pσ) Rydberg state of CH. The rotational propensity rule for ionization changes from ΔN=odd (ΔN=N+−Ni) at lower vibrational excitation, as expected from the ΔN+l=odd selection rule, to ΔN=even at higher vibrational levels. This effect is expected to be quite general and should be most readily observable in diatomic hydrides.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457161
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  • 4
    Electronic Resource
    Electronic Resource
    Non-Franck–Condon effects in photoionization of the 3 3Π Rydberg state of NH (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 7874-7882 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Strong non-Franck–Condon behavior is predicted to occur in the vibrationally resolved photoionization spectra of NH for (3+1) resonance enhanced multiphoton ionization processes via the 3 3Π Rydberg state. The non-Franck–Condon effects are interpreted on the basis of rapid orbital evolution, Cooper minima, and internuclear distance dependence of the dipole transition moment and cross sections. A Cooper minimum occurs in the 5σ→kπ channel at small internuclear distances, where NH resembles its united atom, oxygen. The iterative Schwinger variational method and multiplet-specific ion potentials are employed in the calculation of the photoelectron continuum wave functions. Cross sections and asymmetry parameters for photoionization of the NH ground state leading to the X 2Π, a 4Σ−, and A 2Σ− ions are also reported.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459369
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  • 5
    Electronic Resource
    Electronic Resource
    Orbital evolution and promotion effects in the photoionization dynamics of 2Σ− Rydberg states of OH (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 7863-7873 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this paper, we discuss the photoionization dynamics of the D 2Σ−(1π23pσ) and 3 2Σ−(1π24sσ) Rydberg states of OH, emphasizing the critical role that Rydberg orbital evolution plays at intermediate to larger internuclear distances in determining vibrational and rotational molecular ion distributions. The orbital evolution process is discussed in terms of diabatic and adiabatic molecular states, united atom–separated atom correlation rules, and quantum defect functions. Vibrationally resolved photoelectron spectra and angular distributions for resonance enhanced multiphoton ionization (REMPI) of OH via the D 2Σ−(1π25σ) and 3 2Σ−(1π26σ) Rydberg states are considered as examples. The results and conclusions are relevant to vibrationally and rotationally resolved REMPI studies of all first-row molecular hydrides, due to the similarity of their electronic structure and correspondence to their associated united atom.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459368
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  • 6
    Electronic Resource
    Electronic Resource
    Multiplet-specific shape resonance and autoionization effects in (2+1) resonance enhanced multiphoton ionization of O2 via the d 1Πg state (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 5319-5327 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this paper we discuss the single-photon ionization dynamics of the d 1Πg Rydberg state of O2. Comparision is made with vibrationally resolved measurements of photoelectron spectra which employ (2+1) resonance enhanced multiphoton ionization (REMPI) through the d 1Πg state. A σu shape resonance near the ionization threshold leads to non-Franck–Condon vibrational branching ratios and a substantial dependence of photoelectron angular distributions on the vibrational state of the X 2Πg ion. Significant differences exist between our one-electron predictions and experiment. These are mainly attributed to electronic autoionization of repulsive 1∑−u, 1∑+u, and 1Δu states associated with the 1π3u1π3g configuration. A proposed singlet "K'' 1Πu Rydberg state converging to the A 2Πu ion probably also contributes to autoionization in the d 1Πg state spectrum. We also show that autoionizing H and J 3Πu Rydberg states of O2 converging to the a 4Πu and A 2Πu ionic thresholds, respectively, may play a previously unsuspected role in the C 3Πg state one-color REMPI spectra. We discuss multiplet-specific (spin-dependent) effects via comparision of these results with recent experimental and theoretical studies of O2C 3Πg photoionization.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.458511
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  • 7
    Electronic Resource
    Electronic Resource
    Shape resonance and non-Franck–Condon effects in (2+1) resonant enhanced multiphoton ionization of O2 via the C 3Πg state (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 633-640 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report vibrationally resolved photoelectron angular distributions for photoionization of the C 3Πg Rydberg state of O2. Comparison is made with recent experimental measurements of angular distributions which employ (2+1) resonant enhanced multiphoton ionization of the C 3Πg state. The present theory treats the process as single-photon ionization from an unaligned Rydberg state, and qualitatively accounts for much of the observed trends. Non-Franck–Condon effects induced by the kσu shape resonance lead to a substantial dependence of the angular distributions on the vibrational state of the X 2Πg ion. Discrepancies between our theoretical results and experiment are qualitatively discussed and tentatively attributed to residual electron correlations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456142
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  • 8
    Electronic Resource
    Electronic Resource
    Shape-resonance-induced non-Franck–Condon effects in (2+1) resonance enhanced multiphoton ionization of the C 3Πg state of O2 (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 3923-3925 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We show that strong non-Franck–Condon effects observed in (2+1) resonance enhanced multiphoton ionization of the C 3Πg state of O2 are due to the kσu shape resonance previously observed in single-photon studies of diatomic molecules. Calculated vibrational branching ratios for the v'=2,3 levels of the C 3Πg state are in reasonable agreement with experiment. Certain discrepancies remain in comparing theoretical results with the measured spectra, and possible electron-correlation effects which underly this are discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.454869
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  • 9
    Electronic Resource
    Electronic Resource
    Photoionization of the valence orbitals of OH (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 1737-1742 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report the results of studies of the photoionization cross sections and asymmetry parameters for the 3σ and 1π levels of OH, corresponding to the production of the A 3Π, c 1Π, a 1Δ, b 1Σ+, and X 3Σ− molecular ions. The calculations employed multiplet-specific Hartree–Fock potentials and numerical photoelectron continuum orbitals, obtained using the iterative Schwinger variational method. Noticeable nonstatistical behavior of the cross sections is seen, mainly for the 1π level, although deviations are not as pronounced as in other open-shell systems. Comparison with fragmentary experimental data is encouraging, although synchrotron radiation studies are needed to fully assess the accuracy of the calculated cross sections.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.454097
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  • 10
    Electronic Resource
    Electronic Resource
    Vibrational autoionization in H2 above the v+=3 ionization limit (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 7135-7143 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report multichannel quantum defect theory calculations of vibrational branching ratios and photoelectron angular distributions for photoionization of an ortho/para equilibrium mixture of H2 at 300 K, between wavelengths 762.5 and 765.0 A(ring). We compare our results with the recent synchrotron measurement of these observables by Dehmer et al. [J. Chem. Phys. 97, 7911 (1992)], and the total photoionization cross sections measured by Dehmer and Chupka [J. Chem. Phys. 65, 2243 (1976)]. Except in the region of autoionizing resonances which compete with a dissociation channel, semiquantitative agreement between calculations and experiment is obtained for branching ratios and angular distributions for the v+=0–2 levels, and for the v+=3 branching ratio. However, the level of agreement between the present calculations and the synchrotron measurements is significantly worse than that obtained for the total photoionization cross section.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.466912
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