JILA, NIST and Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado 80309-0440, USA.
J Chem Phys. 2012 Feb 14;136(6):064307. doi: 10.1063/1.3683250.
We present low-energy velocity map photoelectron imaging results for bare and Ar-solvated 1-nitropropane and 1-nitrobutane anions. We report the adiabatic electron affinity of 1-nitropropane as (223 ± 6) meV and that of 1-nitrobutane as (240 ± 6 meV). The vertical detachment energies of these two species are found to be (0.92 ± 0.05) and (0.88 ± 0.05) eV, respectively. The photoelectron spectra are discussed in the framework of Franck-Condon simulations based on density functional theory. We observe unusual resonances in the photoelectron spectra of both ions under study, whose kinetic energy is independent of the photon energy of the detaching radiation. We discuss possible origins of these resonances as rescattering phenomena, consistent with the experimental photoelectron angular distributions.
我们呈现了裸态和氩溶剂化的 1-硝基丙烷和 1-硝基丁烷负离子的低能速度图光电离成像结果。我们报告了 1-硝基丙烷的绝热电子亲合能为（223 ± 6）毫电子伏特，1-硝基丁烷的为（240 ± 6）毫电子伏特。这两种物质的垂直离解能分别为（0.92 ± 0.05）和（0.88 ± 0.05）电子伏特。光电电子光谱是根据密度泛函理论的 Franck-Condon 模拟进行讨论的。我们在研究中的两种离子的光电电子光谱中观察到了不寻常的共振，其动能与离解辐射的光子能量无关。我们讨论了这些共振可能的起源，认为它们是与实验光电电子角分布一致的再散射现象。
