کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1192832 | 1492255 | 2014 | 5 صفحه PDF | دانلود رایگان |
• Quantum mechanical calculation for inelastic CS of e-chloroethane molecules.
• SCOP and semi-empirical CSP-ic formalism to derive ionization CS for 10–5000 eV.
• The present CS shows very good comparison with previous data.
• Present calculation gives better comparison with measurements than other theory.
• Excellent correlation is displayed between the Qion (max) and target parameters.
• This correlation confirms the consistency of present calculations.
The present work reports electron impact total ionization cross sections for chlorine substituted ethane molecules viz. C2H4Cl2, C2H3Cl3, C2H2Cl4, C2HCl5 and C2Cl6 in their gaseous ground state for the incident electron energies ranging from ionization threshold to 5 keV. We have employed the spherical complex optical potential formalism and group additivity rule for the determination of inelastic cross sections. The total ionization cross section is derived from the total inelastic cross section using a semi-empirical method called complex scattering potential ionization contribution method. The results are compared with prior experimental and theoretical values wherever available and an overall reasonable agreement is found. In addition, a correlation is obtained between the maximum of ionization cross section versus the square root of the ratio of the polarisability to ionization potential.
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Journal: International Journal of Mass Spectrometry - Volume 373, 15 November 2014, Pages 34–38