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  • 2000-2004  (3)
  • 2001  (3)
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  • 2000-2004  (3)
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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 2889-2892 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report a photoelectron spectroscopic study of F−(H2O)n (n=1–4) at 193 and 157 nm. In addition to a detachment feature from F−, we observed a higher binding energy feature in all spectra due to ionization of the solvent molecules leading to F−(H2O)n+ charge-transfer states. Detachment of an electron from F− in F−(H2O) reaches the transition state region of the reaction, F+H2O→HF+OH. The bound to non-bound transition resulted in a long tail at the low binding energy side in the photoelectron spectrum of F−(H2O). We estimated that the neutral F(centered ellipsis)H2O complex at the anion geometry, which is near the transition state region of the H-abstraction reaction, is 6±1 kcal/mol above the F+H2O asymptote, consistent with a previous estimation of a 4 kcal/mol entrance barrier height for this reaction. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 5170-5178 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We investigated a series of mono-niobium carbide clusters, NbCn− (n=2–7), using anion photoelectron spectroscopy. Vibrationally resolved photoelectron spectra were observed for NbC2− and NbC3−, which were both shown to have cyclic C2v structures. Two isomers were observed for NbC4− and NbC5−. The weak and low electron binding energy isomers were shown to be cyclic structures forming a series with NbC2− and NbC3−, and all have similar and low electron binding energies. The main isomers of NbC4− and NbC5−, which possess much higher electron binding energies, were shown to be due to linear structures, which form a series with NbC6− and NbC7−. All the linear NbCn− clusters were observed to have high electron binding energies and exhibit an even–odd alternation, similar to that observed for pure linear carbon clusters in the same size range. A cyclic to linear structural transition was thus observed for the NbCn− clusters from NbC3− to NbC4−, with the cyclic structures favored for the smaller clusters and the linear isomers favored for the larger clusters. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 7388-7395 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The electronic structures of CuX2 (X=Cl and Br) have been investigated in the gas phase by means of anion photodetachment photoelectron spectroscopy and ab initio theory. The photoelectron spectra of CuX2− were recorded at two photon energies, 193 and 157 nm. Well-resolved and rich photodetachment features in the spectra provide unprecedented details for the low-lying electronic states of CuCl2 and CuBr2. The excitation energies for five low-lying electronic states of CuX2 were determined, and they explain well the two previously observed optical absorption bands. The electron affinities for CuCl2 and CuBr2 were determined to be identical, 4.35±0.05 eV within the experimental uncertainty. Both the anions and neutral CuX2 species were calculated to be linear with only a slight bond length variation between the charged and neutral species. The calculated electron affinities and vertical excitation energies for the excited states agree well with the experimental values, yielding a definite assignment for the electronic states of CuCl2 and CuBr2. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
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