Huber Stefan E, Süß Daniel, Probst Michael, Mauracher Andreas
Institute of Ion Physics and Applied Physics, Leopold-Franzens-University Innsbruck, Innsbruck, Austria.
Mol Phys. 2018 Aug 14;117(17):2233-2240. doi: 10.1080/00268976.2018.1509148. eCollection 2019.
We report total electron-impact ionisation cross sections (EICSs) of cisplatin, its hydrolysis products and transplatin in the energy range from threshold to 10 keV using the binary-encounter-Bethe (BEB) and its relativistic variant (RBEB), and the Deutsch-Märk (DM) methods. We find reasonable agreement between all three methods, and we also note that the RBEB and the BEB methods yield very similar (almost identical) results in the considered energy range. For cisplatin, the resulting EICSs yield cross section maxima of 22.09 × 10 m at 55.4 eV for the DM method and 18.67 × 10 m at 79.2 eV for the (R)BEB method(s). The EICSs of monoaquated cisplatin yield maxima of 12.54 × 10 m at 82.8 eV for the DM method and of 9.74 × 10 m at 106 eV for the (R)BEB method(s), diaquated cisplatin yields maxima of 7.56 × 10 m at 118.5 eV for the DM method and of 5.77 × 10 m at 136 eV for the (R)BEB method(s). Molecular geometry does not affect the resulting EICS significantly, which is also reflected in very similar EICSs of the - and -isomer. Limitations of the work as well as desirable future directions in the research area are discussed.
我们使用二元碰撞贝特（BEB）及其相对论变体（RBEB）以及多伊奇 - 马克（DM）方法，报告了顺铂、其水解产物和反式铂在从阈值到10 keV能量范围内的总电子碰撞电离截面（EICSs）。我们发现所有三种方法之间存在合理的一致性，并且我们还注意到在考虑的能量范围内，RBEB和BEB方法产生非常相似（几乎相同）的结果。对于顺铂，DM方法得到的EICSs在55.4 eV时的截面最大值为22.09×10⁻²⁰ m²，（R）BEB方法在79.2 eV时的截面最大值为18.67×10⁻²⁰ m²。一水合顺铂的EICSs，DM方法在82.8 eV时的最大值为12.54×10⁻²⁰ m²，（R）BEB方法在106 eV时的最大值为9.74×10⁻²⁰ m²；二水合顺铂的EICSs，DM方法在118.5 eV时的最大值为7.56×10⁻²⁰ m²，（R）BEB方法在136 eV时的最大值为5.77×10⁻²⁰ m²。分子几何结构对所得的EICS影响不大，这也反映在顺式和反式异构体非常相似的EICS中。讨论了这项工作的局限性以及该研究领域未来理想的发展方向。
