Geometrical Structures of Gas Phase Cerium Oxide Cluster Cations after Reaction with Nitric Oxide Studied by Ion Mobility Mass Spectrometry
Geometrical Structures of Gas Phase Cerium Oxide Cluster Cations after Reaction with Nitric Oxide Studied by Ion Mobility Mass Spectrometry
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离子淌度质谱研究气相氧化铈簇阳离子与一氧化氮反应后的几何结构
DOI：
10.1021/acs.jpca.1c10835
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发表时间：
2022
期刊：
影响因子：
--
通讯作者：
and Fuminori Misaizu
中科院分区：
文献类型：
--
作者：
Toshiaki Nagata;Jenna W. J. Wu;Motoyoshi Nakano;Keijiro Ohshimo;and Fuminori Misaizu
采用离子迁移率质谱法（IMMS）测定了氧化铈簇阳离子与一氧化氮分子的反应。CenO2n+1N+是CenO2n++ NO→CenO2n+1N+反应的产物，通过IMMS得到了它们与氦的碰撞截面（CCSs）。CenO2n+1N+的实验CCSs为2-6 Å2larger，而CenO2n+的实验CCSs为4-10。通过对比实验CCSs和理论计算CCSs，确定了Ce4O9N+和Ce5O11N+候选结构的几何结构。结构表明，吸附的NO分子被CenO2n+团簇氧化为亚硝酸盐（NO2 -）或硝酸盐（NO3 -）。CenO2n+1N+被认为是NO氧化反应CenO2n++ NO→CenO2n - 1++ NO2的中间体，因此，本研究结果有助于理解气相CenO2n+簇离子的氧化还原反应。
Cerium oxide cluster cations were reacted with nitric oxide molecules and then measured by ion mobility mass spectrometry (IMMS). CenO2n+1N+species appeared as products of the reaction CenO2n++ NO → CenO2n+1N+, and their collision cross sections (CCSs) with helium were obtained by IMMS. The experimental CCSs of CenO2n+1N+were 2–6 Å2larger than those of CenO2n+forn= 4–10. Geometrical structures of Ce4O9N+and Ce5O11N+were assigned by comparing experimental CCSs with theoretically calculated CCSs of candidate structures. The suggested structures showed that the adsorbed NO molecule is oxidized by the CenO2n+cluster into a nitrite (NO2–) or nitrate (NO3–). The CenO2n+1N+species are regarded as intermediates of the NO oxidation reaction CenO2n++ NO → CenO2n–1++ NO2, and therefore, the present results are helpful for understanding redox reactions involving gas-phase CenO2n+cluster ions.