Tańska Natalia, Bandeira Edvaldo, Souza Barbosa Alessandra, Wójcik Kuba, Dylnicka Sylwia, Ptasińska-Denga Elżbieta, Szmytkowski Czesław, Bettega Márcio H F, Możejko Paweł
Institute of Physics and Applied Computer Science, Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, ul. Gabriela Narutowicza 11/12, 80-233 Gdańsk, Poland.
Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-980 Curitiba, Paraná, Brazil.
J Phys Chem A. 2023 Sep 14;127(36):7594-7604. doi: 10.1021/acs.jpca.3c04636. Epub 2023 Aug 29.
Elastic low-energy electron collisions with methyl formate have been studied theoretically at the level of various theories. The elastic integral cross section was calculated using Schwinger multichannel and R-matrix methods, in the static-exchange and static-exchange plus polarization levels of approximations for energies up to 15 eV. The absolute total cross section for electron scattering from methyl formate has been measured in a wide energy range (0.2-300 eV) using a 127° electron spectrometer working in the linear transmission configuration. The integral elastic and the absolute total cross sections display a π* shape resonance at around 1.70-1.84 eV, which can be related to the resonance visible for formic acid, and a broad structure located at 7-8 eV, which can be associated to a superposition of σ* shape resonances. Our results were compared with theoretical and experimental results available in the literature and with the results of electron collisions with formic acid. The additivity rule was used to estimate the total cross section of methyl formate and the results agree well with the experimental data.
已在各种理论层面上对弹性低能电子与甲酸甲酯的碰撞进行了理论研究。采用施温格多通道方法和R矩阵方法，在静态交换以及静态交换加极化近似水平下，计算了能量高达15 eV时的弹性积分截面。使用工作在线性传输配置下的127°电子能谱仪，在宽能量范围（0.2 - 300 eV）内测量了甲酸甲酯电子散射的绝对总截面。积分弹性截面和绝对总截面在1.70 - 1.84 eV左右呈现出π形状的共振，这可能与甲酸中可见的共振有关，以及位于7 - 8 eV处的一个宽结构，这可能与σ形状共振的叠加有关。我们的结果与文献中可得的理论和实验结果以及电子与甲酸碰撞的结果进行了比较。使用加和规则估算了甲酸甲酯的总截面，结果与实验数据吻合良好。
