Library

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    Electronic Resource
    Electronic Resource
    Electronic and Vibrational Structure and Scaled Density Functional Force Field of Cyclopentadiene and Its Radical Cation (1995)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 99 (1995), S. 17844-17851 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100051a008
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Anion photoelectron spectroscopy of B3N− (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 10491-10500 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Vibrationally resolved negative ion photoelectron spectra of B3N− at 355 and 266 nm are presented. Two intense bands are observed with adiabatic detachment energies (ADEs) of 2.923±0.008 eV and 3.063±0.008 eV and markedly different photoelectron angular distributions. Aided by electronic structure calculations, the two bands are assigned to transitions from the linear X˜ 4Σ− state of B3N− to the linear 3Π and 5Σ− electronically excited states of neutral B3N, with all three states having a B–N–B–B structure. Weak signal observed at lower electron binding energies is tentatively assigned to two additional linear-to-linear transitions from the low-lying electronically excited 2Π state of B3N− to the 1Σ+ and 3Π states of neutral B3N. Based on these assignments the electron affinity of linear B–N–B–B is 2.098±0.035 eV. It remains uncertain if the 1Σ+ state of linear B–N–B–B or the 3A1 state of cyclic B3N is the overall ground state. At the highest level of theory used here, CCSD(T)/aug-cc-pVTZ, the 1Σ+ state is predicted to lie 0.09 eV below the 3A1 state. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.480402
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Anion photoelectron spectroscopy of B2N− (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 8838-8851 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Vibrationally resolved 355 and 266 nm anion photoelectron spectra of B2N are presented. Photodetachment to two electronic states of linear B–N–B is observed and, aided by electronic structure calculations, assigned to the X˜ 1Σg+→X˜ 2Σu++e− and X˜ 1Σg+→A˜ 2Σg++e− transitions. The electron affinity of B2N is 3.098±0.005 eV and the A˜ 2Σg+ term energy T0 is 0.785±0.005 eV. Observation of excitations involving uneven quanta of the antisymmetric stretching mode (v3) indicates a breakdown of the Franck–Condon (FC) approximation and results from Herzberg–Teller vibronic coupling between the X˜ 2Σu+ and A˜ 2Σg+ states involving the v3 mode. Measurement of the angular dependence of the photodetached electrons serves as a sensitive probe for the identification of these FC forbidden transitions. A linear vibronic coupling model qualitatively reproduces the perturbed v3 potentials of the X˜ and A˜ states. Artifactual symmetry breaking along the v3 coordinate is observed in the ab initio wave functions for the neutral ground state up to the coupled-cluster level of theory, even when Brueckner orbitals are used. No evidence is found for an energetically low-lying cyclic state of B2N, which has been invoked in the assignment of the matrix infrared spectrum of B2N. However, the matrix infrared data agrees well with the peak spacing observed in the photoelectron spectra and reassigned to the linear X˜ 2Σu+ ground state. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.480230
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 4
    Electronic Resource
    Electronic Resource
    Measurement of absolute differential cross sections for the excitation of the π,π* triplet state of ethene by electron impact at 0° and 180° (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 7044-7046 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A recently developed magnetically collimated electron impact spectrometer with pulsed incident electron beam and time-of-flight selection of electrons scattered in the forward and backward directions was used to measure differential cross sections (DCSs) for the excitation of the valence triplet state of ethene at scattering angles of 0° and 180°. The measurements are complemented by data at intermediate angles measured with a conventional spectrometer using hemispherical electron-energy analyzers. A pronounced trend is found in the DCS measured as a function of incident electron energy at 0°, 90°, and 180°: a band assigned as the 2(π,π*2) core excited shape resonance becomes substantially wider and moves to higher energies with increasing angle of observation. The DCS have also been measured as a function of scattering angle, in the range 0°–135° and at 180°, at 1.5, 3, and 10 eV above threshold. The DCS was found to be strongly backward peaked at energies higher than 5 eV above threshold. The results at 0° and 180° are found to be a sensitive test of the theory. All qualitative trends are reproduced well by recent published Schwinger multichannel and complex Kohn theories, but quantitative differences are found in the absolute magnitude of the DCSs and the position of the resonances. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.473727
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 5
    Electronic Resource
    Electronic Resource
    Zero electron kinetic energy and photoelectron spectroscopy of the XeI− anion (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 10754-10766 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The XeI− anion and the corresponding neutral X1/2, I3/2, and II1/2 electronic states have been studied by means of zero electron kinetic energy (ZEKE) and photoelectron spectroscopy. The ZEKE spectra show rich and well-resolved progressions in the low-frequency vibrations of the anion and the neutral van der Waals complexes. From our spectroscopic data we construct model potentials for the anion and three neutral states, which are compared to previously obtained potential functions for this system. The intensity of the I3/2←anion transitions relative to the X1/2←anion transitions in the XeI− ZEKE spectrum is considerably lower than expected from a Franck-Condon simulation based on the model potentials. Comparison with the photoelectron spectrum of XeI− indicates this is due to a small s-wave partial cross section for photodetachment to the I3/2 state. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.477774
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 6
    Electronic Resource
    Electronic Resource
    Synthesis and spectroscopy of tricyclo[3.3.3.03,7]undec-3(7)-ene: confirmation of computational predictions regarding the effects of pyramidalization on alkene ionization energies and electron affinities (1993)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 115 (1993), S. 3816-3817 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00062a074
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 7
    Electronic Resource
    Electronic Resource
    Characterization of the I3 radical by anion photoelectron spectroscopy (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 7607-7609 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The ground and first excited states of the I3 radical are characterized by photoelectron spectroscopy of I3− and Ar⋅I3− at 266 nm. The electron affinity of I3 is 4.226±0.013 eV. Based on the recently determined bond dissociation energy of I3−, the I3 ground state is bound by 0.143±0.06 eV. The first excited state of I3 lies 0.27 eV above the ground state. A vibrational progression is seen in the ground state band of the I3− photoelectron spectrum. The addition of an argon atom to I3− reduces the contribution of hot bands to the photoelectron spectrum, facilitating the interpretation of the vibrational structure. Simulations indicate that the I3 ground state is linear with a symmetric stretch frequency of 115±5 cm−1 and is likely to be centrosymmetric. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.478672
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 8
    Electronic Resource
    Electronic Resource
    Anion photoelectron spectroscopy of I2− and I2−⋅Arn (n=1–14, 16, 20) clusters (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 4389-4395 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report the mass-selected anion photoelectron spectra of I2− and the weakly bound clusters I2−⋅Arn (n=1–14, 16, 20) measured at a photon energy of 4.657 eV. The experiment yields size-dependent vertical and adiabatic detachment energies for the formation of the ground state and five valence-excited states of the neutral cluster, which correspond to the 1∑g+ (X), 3Π2u (A′), 3Π1u (A), 3Π0−u (B′), 1Π1u (B″), and 3Π0+u (B) states of bare I2. The detachment energies are successively blue-shifted with increasing cluster size, indicating a stronger stabilization of the anionic cluster relative to the neutral counterpart. The blue shift is of similar extent for the electronically excited states A′ and A and approximately 10% less for the X state. The I2− and I2−⋅Ar spectra are simulated employing a Franck–Condon analysis, from which we estimate the ion vibrational temperature and determine the I2−–Ar binding energy (D0=53±4 meV). The results are discussed with respect to possible cluster geometries and the evolution of the total and stepwise solvation energies. For I2−⋅Ar6 we present evidence that all Ar atoms are bound around the waist of the I–I bond. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.477042
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 9
    Electronic Resource
    Electronic Resource
    Photoelectron spectroscopy of GaX2−, Ga2X−, Ga2X2−, and Ga2X3−(X=P,As) (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 4620-4631 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Anion photoelectron spectra taken at various photodetachment wavelengths have been obtained for GaX2−, Ga2X−, Ga2X2−, and Ga2X3− (X=P,As). The incorporation of a liquid nitrogen cooled channel in the ion source resulted in substantial vibrational cooling of the cluster anions, resulting in resolved vibrational progressions in the photoelectron spectra of all species except Ga2X2−. Electron affinities, electronic term values, and vibrational frequencies are reported and compared to electronic structure calculations. In addition, similarities and differences between the phosphorus and arsenic-containing isovalent species are discussed. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1391267
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
  • 10
    Electronic Resource
    Electronic Resource
    Triplet-State Energy of the Photostabilizer Tinuvin P (1993)
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 76 (1993), S. 993-994 
    Details
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Electron-energy-loss spectroscopy shows that the lowest triplet level of the photostabilizer molecule Tinuvin P (= 2-(2′-hydroxy-5′-methylphenyl)benzotriazole) is at ca. 3.0 eV. Tinuvin P acts as a photostable inner filter rather than as a quencher of excited impurity sites.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/hlca.19930760222
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...