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  • AIP Publishing  (3)
  • 1
    Online Resource
    Online Resource
    Reinvestigation of the electronic spectroscopy of the Au–Ar complex
    AIP Publishing ; 2007
    In:  The Journal of Chemical Physics Vol. 127, No. 20 ( 2007-11-28)
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 127, No. 20 ( 2007-11-28)
    Abstract: The Au–Ar complex is reinvestigated employing resonance-enhanced multiphoton ionization spectroscopy. Spectra are reported, corresponding to the atomic transition Au(6p←6s). This electronic excitation yields Π2 and Σ+2 states of Au–Ar, which interact under the influence of spin-orbit coupling. The spectra are consistent with strong σ-π mixing induced by the large spin-orbit coupling of Au, leading to strong interaction of the two Ω=1∕2 states, which arise from the Ar(S01)+Au(P1∕2,3∕22) asymptotes, and the consequent formation of a “shelf” on the outer wall of the lowest Ω=1∕2 state. In addition, high-level ab initio calculations are reported on the ground electronic state, X̃Σ+2, including extrapolation to the basis set limit.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.2800006
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2007
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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    Online Resource
  • 2
    Online Resource
    Online Resource
    Zero electron kinetic energy spectroscopy of the para -fluorotoluene cation
    AIP Publishing ; 2007
    In:  The Journal of Chemical Physics Vol. 126, No. 24 ( 2007-06-28)
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 126, No. 24 ( 2007-06-28)
    Abstract: Zero electron kinetic energy (ZEKE) spectroscopy is employed to gain information on the vibrational energy levels of the para-fluorotoluene (pFT) cation. Vibrationally resolved spectra are obtained following excitation through a range of intermediate vibrational energy levels in the S1 state. These spectra allow the observation of different cationic vibrational modes, whose assignment is achieved both from a knowledge of the S1 vibrational states and also by comparison with density functional calculations. In one notable case, clean ZEKE spectra were obtained from two overlapped S1 features. From the authors' data, the adiabatic ionization energy of pFT was derived as 70946±4cm−1. The information on the cationic energy levels obtained will be useful in untangling the intramolecular vibrational redistribution dynamics of pFT in the S1 state.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.2741542
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2007
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 3
    Online Resource
    Online Resource
    Progress in understanding the intramolecular vibrational redistribution dynamics in the S1 state of para -fluorotoluene
    AIP Publishing ; 2006
    In:  The Journal of Chemical Physics Vol. 125, No. 12 ( 2006-09-28)
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 125, No. 12 ( 2006-09-28)
    Abstract: We employ zero-kinetic-energy (ZEKE) photoelectron spectroscopy with nanosecond laser pulses to study intramolecular vibrational redistribution (IVR) in S1 para-fluorotoluene. The frequency resolution of the probe step is superior to that obtained in any studies on this molecule to date. We focus on the behavior of the 131 (C–CH3 stretch) and 7a1 (C–F stretch) vibrational states whose dynamics have previously received significant attention, but with contradictory results. We show conclusively that, under our experimental conditions, the 7a1 vibrational state undergoes significantly more efficient IVR than does the 131 state. Indeed, under the experimental conditions used here, the 131 state undergoes very little IVR. These two states are especially interesting because their energies are only 36cm−1 apart, and the two vibrational modes have the same symmetry. We discuss the role of experimental conditions in observations of IVR in some detail, and thereby suggest explanations for the discrepancies reported to date.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.2354501
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2006
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
    Location Call Number Limitation Availability
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    Online Resource
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