Elastic scattering of low-energy electrons by CH3CN and CH3NC molecules
作者： Milton M Fujimoto , Erik VR de Lima , Jonathan Tennyson , None
DOI: 10.1140/EPJD/E2015-60189-1
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摘要: Rotationally-summed elastic cross sections for electrons collisions with the isomers acetonitrile and methyl isocyanide are reported. Theoretical differential integral calculated using UK molecular R-matrix codes in energy range from 1 eV to 10 eV. The dynamic interaction is represented within a static-exchange plus polarization model based on use of an extensive orbital sets. Both molecule have large permanent dipole moment Born closure procedure used get more reliable sections. These molecules show low-energy, π ∗ resonances at 2.4 2.7 CH3CN CH3NC, respectively; very broad σ ones about 6 Our results suggest that electron / CH3NC similar properties those found HCN HNC.
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