In: Physical Review A, 2005, vol. 71, p. 022712-22721
Cross sections at low energies for vibrationally elastic and inelastic scattering, as well as electron attachment to SF₆, have been calculated using a multichannel effective range theory (ERT) with complex boundary conditions. The most active vibrational modes, the totally symmetric mode ν1 and the infrared active mode ν3, have been included in the calculation. The ERT parameters were fitted...
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In: Journal of Physics B: Atomic, Molecular and Optical Physics, 2004, vol. 37, p. L359-L363
Kinetic energy spectra of O⁻ from dissociative electron attachment (DEA) to NO were measured at 7.6, 8.0, 9.0 and 10.0 eV electron energy using a spectrometer with hemispherical energy selectors for both the incident electrons and the resulting ions. The measurements were performed at 10°, 30°, 90° and 135°. The capacity of the spectrometer to detect both slow and fast ions was verified and...
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In: Journal of Physics B: Atomic, Molecular and Optical Physics, 2004, vol. 37, p. 4849-4859
Dissociative electron attachment (DEA) spectra were recorded for methanol, phenol, diethylamine, tetramethylhydrazine, piperazine, pyrrole and N,N-dimethylaniline. Comparison with He I photoelectron spectra permitted the assignment of virtually all DEA bands in the saturated compounds to core excited Feshbach resonances with double occupation of Rydberg-like orbitals and various Koopmans' states...
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In: Polyhedron, 2004, vol. 23, no. 6, p. 1011-1017
The zinc(II) complexes 1aZnCl₂ and 1bZnCl₂ (1a: 2-(6',2''-bipyrid-2'-yl)-3-(2- pyridyl)pyrazine; 1b: 2-(6',2'-bipyrid-2'-yl)-5,6-dinitrilo-3-(2-pyridyl)pyrazine) were prepared by treatment of the ligands with ZnCl₂. The structures of both were investigated by X-ray crystallography and 1H NMR spectroscopy. Both complexes display proton deshielding phenomena that are attributed to a...
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In: Chemical Physics Letters, 2005, vol. 406, no. 4, p. 355-359
DFT investigations on the mechanism of Diels–Alder reactions of a hydroxy-ortho-quinodimethane with fumaric acid derivatives were performed to understand the origin of the syn or anti configuration of the adducts. The diene hydroxyl group and the dieneophile carboxyl group show hydrogen bonding in the transition state, significantly favouring the syn product. This reaction is poorly...
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In: Synlett, 2004, no. 13, p. 2268-2274
A major challenge in organic synthesis is the selective reaction of a functional group in the presence of others. This can be achieved by using an appropriate reagent, tuned to react exclusively at the desired center. An alternate approach would be to use a single reagent, and to transmit from the outside the information as to where it should react. This account describes the use of light as a...
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In: Tetrahedron Letters, 2005, vol. 46(2), p. 3793-3795
A simple spectroscopic method was applied to determine the geometry of tetrasubstituted alkenes. The observation of the ⁵J-coupling constants in proton NMR spectra on the ¹³C satellite signals could confirm the previous misassignment of 2,3-diphenylbutene. Hence, the (E)-isomer showed a 1.5 Hz coupling constant, whereas the (Z)-isomer showed a 1.1 Hz coupling constant. Based on this new...
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In: Journal of Physics B: Atomic, Molecular and Optical Physics, 2005, vol. 38, p. 603
Absolute differential elastic and vibrational excitation cross sections have been measured for NO at 135° with resolution of the ²Π1/2 and ²Π3/2 spin-orbit components of the ground electronic term. The electronic fine structure excitation is dominated by the ³Σ⁻ and the ¹Δ resonances of NO⁻, the nonresonant contribution is very small. The cross section is very large, it has about the...
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In: Physical Review Letters, 2004, vol. 93, p. 063201-63204
The electron impact cross section for the transition between the ²Π₁͵₂ and ²Π₁͵₃ spin-orbit components of the ground electronic term of nitric oxide, separated by 15 meV, has been measured as a function of electron energy at a scattering angle of Θ= 135°. It is dominated by the ³Σ⁻ and the ¹Δ resonances. Its magnitude is very large, at peak about equal to that of the elastic...
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In: Journal of Physics B: Atomic, Molecular and Optical Physics, 2005, vol. 38, p. 1679
Absolute differential elastic and vibrational excitation cross sections have been measured for CH₄ at 90° and from 0.1 to 1.5 eV, with the resolution of all four vibrational modes. Threshold peaks were observed in the excitation of the ν1, ν3 and ν4 modes, but not in the ν2 mode. These results are in good agreement with the recent calculation of Nishimura and Gianturco (2002 J. Phys. B:...
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