Fujimoto M M, Tanaka H K, Marinho R R T, Medina A, Prudente F V, Homem M G P
Departamento de Fı́sica, Universidade Federal do Paraná, 81531-980 Curitiba, PR, Brazil.
Instituto Federal da Bahia, 45810-000 Porto Seguro, BA, Brazil.
J Phys Chem A. 2020 Aug 13;124(32):6478-6485. doi: 10.1021/acs.jpca.0c03520. Epub 2020 Jul 30.
We present an experimental and theoretical investigation of the photon interaction with formic acid in the vacuum-ultraviolet energy range. The absolute absorption cross sections and ionization efficiencies were measured in the 11.2-21.4 and 13.5-21.4 eV ranges, respectively, using a double-ion chamber technique. Photoionization and neutral-decay cross sections were derived from these results. From the present ionization cross sections and previously reported ionic dissociative branching ratios, the partial cross sections for dissociating processes were obtained. Theoretically, the photoionization cross sections and the asymmetry parameters of the photoelectron angular distributions for ionization out of the six outermost valence orbitals (10', 2″, 9', 1″, 8', and 7') were obtained in the energy range from near-threshold to 35 eV. For that, the Padé approximant technique along with the single-center partial-wave expansion method was applied to solve the Lippmann-Schwinger equation in the static-exchange-polarization level of approximation. This is the first theoretical investigation concerning the determination of the asymmetry parameters and photoionization cross sections of formic acid in the vacuum-ultraviolet energy range. Comparison is made between our results and the previous ones.
我们展示了在真空紫外能量范围内对光子与甲酸相互作用的实验和理论研究。分别使用双电离室技术在11.2 - 21.4 eV和13.5 - 21.4 eV范围内测量了绝对吸收截面和电离效率。从这些结果推导出光电离和中性衰变截面。根据当前的电离截面和先前报道的离子解离分支比,获得了解离过程的部分截面。理论上,在从近阈值到35 eV的能量范围内,获得了六个最外层价轨道(10'、2″、9'、1″、8'和7')电离的光电离截面和光电子角分布的不对称参数。为此,应用帕德近似技术并结合单中心分波展开方法,在静态交换极化近似水平上求解利普曼 - 施温格方程。这是关于在真空紫外能量范围内确定甲酸不对称参数和光电离截面的首次理论研究。我们将结果与先前的结果进行了比较。