Babin Mark C, DeWitt Martin, DeVine Jessalyn A, McDonald David C, Ard Shaun G, Shuman Nicholas S, Viggiano Albert A, Cheng Lan, Neumark Daniel M
Department of Chemistry, University of California, Berkeley, Berkeley, California 94720, USA.
NRC Postdoc at Air Force Research Laboratory, Space Vehicles Directorate, Kirtland Air Force Base, Albuquerque, New Mexico 87117, USA.
J Chem Phys. 2021 Sep 21;155(11):114305. doi: 10.1063/5.0063307.
Electronically excited NdO is a possible product of the chemistry associated with the release of Nd into the ionosphere, and emission from these states may contribute to the observations following such experiments. To better characterize the energetics and spectroscopy of NdO, we report a combined experimental and theoretical study using slow photoelectron velocity-map imaging spectroscopy of cryogenically cooled NdO anions (cryo-SEVI) supplemented by wave function-based quantum-chemical calculations. Using cryo-SEVI, we measure the electron affinity of NdO to be 1.0091(7) eV and resolve numerous transitions to low-lying electronic and vibrational states of NdO that are assigned with the aid of the electronic structure calculations. Additionally, temperature-dependent data suggest contributions from the (2)4.5 state of NdO residing 2350 cm above the ground anion state. Photodetachment to higher-lying excited states of NdO is also reported, which may help to clarify observations from prior release experiments.
电子激发态的NdO可能是钕释放到电离层相关化学过程的产物,这些态的发射可能有助于此类实验后的观测。为了更好地表征NdO的能量学和光谱学,我们报告了一项结合实验和理论的研究,使用低温冷却的NdO阴离子的慢光电子速度映射成像光谱(cryo-SEVI),并辅以基于波函数的量子化学计算。利用cryo-SEVI,我们测得NdO的电子亲和能为1.0091(7) eV,并解析了许多到NdO低电子态和振动态的跃迁,这些跃迁借助电子结构计算得以归属。此外,温度相关数据表明,NdO的(2)4.5态(比基态阴离子态高2350 cm)有贡献。还报道了NdO光解离到更高激发态的情况,这可能有助于澄清先前释放实验的观测结果。