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- W2065150503 abstract "State-resolved collision energy dependence of Penning ionization cross sections of acetylene (C2H2) and ethylene (C2H4) with He*(2S3) metastable atoms was observed in a wide collision energy range from 20to350meV. A recently developed discharge nozzle source with a liquid N2 circulator was employed for the measurements in the low-energy range from 20to80meV. Based on classical trajectory calculations for the energy dependence of the partial ionization cross sections, anisotropic potential energy surfaces for the present systems were obtained by optimizing ab initio model potentials for the chemically related systems Li+C2H2 and C2H4. In the case of C2H2, the global minimum was found to be located around the H atom along the molecular axis with a well depth of 48meV (ca. 1.1kcal∕mol). On the other hand, a dominant attractive well with a depth of 62meV (ca. 1.4kcal∕mol) was found in the πCC electron region of C2H4. These findings were discussed in connection with orbital interactions between molecular orbitals of the target molecules and atomic orbitals of the metastable atom. It is concluded that σ-type unoccupied molecular orbitals of C2H2 and a πCC-type highest occupied molecular orbital of C2H4 play a significant role for the attractive-site preference of σ direction in C2H2 and π direction in C2H4, respectively." @default.
- W2065150503 created "2016-06-24" @default.
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- W2065150503 date "2006-03-14" @default.
- W2065150503 modified "2023-10-17" @default.
- W2065150503 title "Probing anisotropic interaction potentials of unsaturated hydrocarbons with He*(2S3) metastable atom: Attractive-site preference of σ-direction in C2H2 and π-direction in C2H4" @default.
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- W2065150503 doi "https://doi.org/10.1063/1.2178298" @default.
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