Cross-sections for rotational excitations of C3H4 isomers by electron impact
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We report elastic (rotationally summed) and rotationally resolved cross-sections for scattering of low-energy electrons by the C3H4 isomers allene, propyne, and cyclopropene, which belong to the D2d, C3v, and C2v groups, respectively. We employed the Schwinger multichannel method with pseudopotentials at the static-exchange approximation, combined with the adiabatic-nuclei-rotation (ANR) approximation to calculate the rotational excitation cross-sections for energies ranging from 5 to 30 eV. Our rotational resolved cross-sections show the isomer effect more strongly related to scattering potentials of different molecular geometries and to transition selection rules than to differences in mass distribution which account for the energy spacing in the rotational spectra of the molecules.
KeywordsMass Distribution Electron Impact Cyclopropene Quantum Computing Selection Rule
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- M.E. Rose, Elementary Theory of Angular Momentum (John Wiley and Sons, New York, 1957) Google Scholar
- CRC Handbook of Chemistry and Physics, 79th edn., edited by D.R. Lide (CRC, Boca Raton, 1998) Google Scholar
- M.T. do N. Varella, M.H.F. Bettega, A.J.R. da Silva, M.A. P. Lima, J. Chem. Phys. 110, 2452 (1999); M.T. do N. Varella, M.H.F. Bettega, M.A.P. Lima, L.G. Ferreira, J. Chem. Phys. 111, 6396 (1999); A.P.P. Natalense, M.T. do N. Varella, M.H.F. Bettega, L.G. Ferreira, M.A.P. Lima, J. Phys. B: At. Mol. Opt. Phys. 32, 5523 (1999) CrossRefADSGoogle Scholar