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  • AIP Publishing  (7)
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  • AIP Publishing  (7)
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  • 1
    Online Resource
    Online Resource
    Photofragmentation studies of small selenium cluster cations Sen+ (n=3–8)
    AIP Publishing ; 1999
    In:  The Journal of Chemical Physics Vol. 111, No. 17 ( 1999-11-01), p. 7837-7843
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 111, No. 17 ( 1999-11-01), p. 7837-7843
    Abstract: Selenium cluster cations are produced by the combination of laser vaporization and supersonic expansion techniques. Each small cluster cation Sen+ (n=3–8) is mass selected separately and subjected to one-photon laser photodissociation processes. The parent and daughter cluster ions are detected using a reflectron time-of-flight mass spectrometer. The appearance potentials of all the observed cluster fragment ions are estimated from their yield curves as a function of the laser wavelength. The neutral dimer evaporation is found to be the lowest energy photodissociation channel. In general, the odd-numbered cluster cations have much larger dissociation thresholds than those of the even-numbered cluster cations. In addition, the dissociation thresholds of the odd-numbered cations decrease with the increasing cluster size, while those of the even-numbered clusters increase with the increasing cluster size. A sequential neutral dimer evaporation mechanism is demonstrated in the photodissociation of some cluster cations at high photon energies.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.480119
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1999
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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    Online Resource
  • 2
    Online Resource
    Online Resource
    Resonant two-photon ionization and fluorescence excitation studies of o, m-difluorobenzene⋯Ar. Spectral shifts and intermolecular vibrations
    AIP Publishing ; 1998
    In:  The Journal of Chemical Physics Vol. 108, No. 1 ( 1998-01-01), p. 12-19
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 108, No. 1 ( 1998-01-01), p. 12-19
    Abstract: Resonant two-photon ionization (R2PI) spectra of the van der Waals (vdW) complexes 1,2-difluorobenzene⋯Ar (o-DFB⋯Ar) and 1,3-difluorobenzene⋯Ar (m-DFB⋯Ar) through the S1←S0 transition revealed a number of bands near the origin 000. All these bands are assigned to the low-frequency intermolecular vibrations. Quantum calculations using the method of linear-combination of three-dimensional harmonic oscillator products (LCHOP) were carried out to derive the intermolecular vibrational energy levels. Detailed assignments of the intermolecular vibrational modes are accomplished with the help of the quantum calculations and the comparison with the available data on related systems, e.g., C6H6⋯Ar and p-DFB⋯Ar. Fluorescence excitation method was used to derive the spectral shifts of intramolecular bands (S1←S0) of o, m-DFB upon complexation with Ar.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.475390
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1998
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 3
    Online Resource
    Online Resource
    Comparative studies of the photoinduced reactions in the Mg+–SCNC2H5 and Mg+–NCSC2H5 complexes
    AIP Publishing ; 2004
    In:  The Journal of Chemical Physics Vol. 120, No. 6 ( 2004-02-08), p. 2759-2766
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 120, No. 6 ( 2004-02-08), p. 2759-2766
    Abstract: The photoinduced reactions of the complexes Mg+–SCNC2H5 and Mg+–NCSC2H5 are studied comparatively in the spectral range of 230–440 nm. One-photon excitation of the complexes through the Mg+ chromophore (3 2P←3 2S) gives rise to the evaporative fragment as well as the molecular activation and charge transfer products. The action spectra of the complexes consist of three broad peaks for Mg+–SCNC2H5 and two for Mg+–NCSC2H5, which accord with the structures obtained from quantum mechanics calculations. These calculations reveal two association isomers for Mg+–SCNC2H5: one is with Mg+ being linked to the S atom and the other to the N atom. The former is more stable than the latter by only 0.23 eV. Both of the isomers have been shown to exist in the complex source employed in our experiments. On the other hand, only one stable structure is found for the complex Mg+–NCSC2H5 characterized by the Mg+–N linkage. In general, the photofragments are dominated by Mg+ at λ & gt;400 nm, which decreases with decreasing wavelength accompanied by the increase in other photoproducts. In addition, the branching ratios of Mg+ to other photoproducts are nearly constant in the short wavelength region but decrease with decreasing wavelength. The observed photoreactions have been reasonably explained.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1638992
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2004
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 4
    Online Resource
    Online Resource
    Resonant two-photon ionization spectra of van der Waals complexes p, m , o-C6H4F2⋯NH3(ND3)
    AIP Publishing ; 1999
    In:  The Journal of Chemical Physics Vol. 111, No. 1 ( 1999-07-01), p. 134-139
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 111, No. 1 ( 1999-07-01), p. 134-139
    Abstract: We have studied the resonant two-photon ionization (R2PI) spectra of three van der Waals (vdW) complexes p, m, o-C6H4F2⋯NH3(ND3) through the S1←S0 transition with mass selectivity. The stretching frequencies of the three vdW complexes were found to be quite close (86 cm−1). From the photodissociation mechanism and the relationship between anharmonicity of the stretching vibration and the dissociation energy, we estimated the dissociation energies of all the three vdW complexes in the S0 and S1 states. A quantum ab initio calculation on p-C6H4F2⋯NH3 at the MP2/6-31G** level gave the following geometry: The N atom of NH3 is located on the symmetry axis (Z-axis) and 3.53 Å above the benzene ring; the C3 axis of NH3 is at an angle of 52.5° with the Z-axis of p-C6H4F2 with one of the hydrogen atoms pointing towards the benzene ring; the rotation of NH3 around the Z-axis is nearly free. The calculated bond dissociation energies and the expectation of internal rotation are consistent with our experimental results.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.479259
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1999
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 5
    Online Resource
    Online Resource
    Two-photon ionization studies of binary aromatic van der Waals clusters: Benzene...chlorobenzene and (chlorobenzene)2
    AIP Publishing ; 1996
    In:  The Journal of Chemical Physics Vol. 104, No. 22 ( 1996-06-08), p. 8843-8851
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 104, No. 22 ( 1996-06-08), p. 8843-8851
    Abstract: Jet-cooled van der Waals dimers of benzene (B) and chlorobenzene (BCl) were studied by one-color resonant two-photon ionization through the S0→S1 transition of the chlorobenzene. The spectra of BCl...B and (BCl)2 in the 0–0 band both show two main features with different spectral shifts. These two main features are attributed to two different geometries: perpendicular T-shaped geometry and parallel displaced geometry. This assignment is supported by the relative intensity dependence on the internal temperature and our ab initio calculations at the MP2 level. The binding energies of BCl...B and (BCl)2 were measured near the two-photon ionization dissociation threshold in a reflectron time-of-flight mass spectrometer (RTOF/MS). Our estimated binding energies of BCl...B and BCl...BCl are 0.14±0.01 eV and 0.15±0.01 eV, respectively, consistent with their increasing dipole moment and polarizability in that order.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.471618
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1996
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 6
    Online Resource
    Online Resource
    Resonant two-photon ionization spectroscopy of the van der Waals complex C6H5CH3⋯N2: Structure, binding energy, intermolecular vibrations, and internal rotation
    AIP Publishing ; 2003
    In:  The Journal of Chemical Physics Vol. 119, No. 16 ( 2003-10-22), p. 8321-8326
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 119, No. 16 ( 2003-10-22), p. 8321-8326
    Abstract: Resonant two-photon ionization spectrum of C6H5CH3⋯N2 has been recorded, which exhibits rich information about the van der Waals vibrational modes and internal rotation of N2. An ab initio calculation shows a Cs point group for the complex, in which the mass center of N2 is ∼0.35 nm above the benzene ring and the molecular axis of N2 is in the symmetry plane but tilted slightly away from the CH3 group by ∼2°. With the help of isotopic substitution, quantum mechanics calculations, and systematic comparisons, we have tentatively assigned all the observed spectral features. The van der Waals bonding is shown to have an inhibitory effect on the internal rotation of the CH3 group. Bond dissociation energies for the complex C6H5CH3⋯N2 in the excited electronic state and in the ground electronic state are estimated to be 494 and 474 cm−1, respectively, in good agreement with the calculated value.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.1612480
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2003
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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  • 7
    Online Resource
    Online Resource
    Resonant two-photon ionization spectra of the van der Waals complexes: C6H5X⋅⋅⋅N2 (X=F, Cl, Br)
    AIP Publishing ; 1996
    In:  The Journal of Chemical Physics Vol. 105, No. 13 ( 1996-10-01), p. 5305-5312
    Details
    In: The Journal of Chemical Physics, AIP Publishing, Vol. 105, No. 13 ( 1996-10-01), p. 5305-5312
    Abstract: The one-color resonant two-photon ionization technique is employed to study jet-cooled van der Waals (vdW) clusters of halobenzene and nitrogen through the S0→S1 transition around the 0̄00 band. The spectra obtained exhibit rich information about the clusters’ intermolecular vdW vibrational modes and their solvent internal rotation. We have tentatively assigned all the observed spectral features to a single isomer of C6H5X⋅⋅⋅N2 (X=F, Cl, Br). The influence of X on the vdW vibrations and the internal rotation of N2 in the complex is investigated. The analysis of the influence of X on the 0̄00 spectral shift suggests that the change in vdW interaction energy upon electronic excitation is mainly due to the dispersion term.
    Type of Medium: Online Resource
    ISSN: 0021-9606 , 1089-7690
    URL: Article
    DOI: 10.1063/1.472408
    Language: English
    Publisher: AIP Publishing
    Publication Date: 1996
    detail.hit.zdb_id: 3113-6
    detail.hit.zdb_id: 1473050-9
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