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Stable Compositions and Structures of Copper Oxide Cluster Cations CunOm+ (n = 2–8) Studied by Ion Mobility Mass Spectrometry
ACS Omega ( IF 3.7 ) Pub Date : 2018-12-28 00:00:00 , DOI: 10.1021/acsomega.8b02466 M Abdul Latif 1 , Jenna W J Wu 1 , Ryoichi Moriyama 1 , Motoyoshi Nakano 1 , Keijiro Ohshimo 1 , Fuminori Misaizu 1
ACS Omega ( IF 3.7 ) Pub Date : 2018-12-28 00:00:00 , DOI: 10.1021/acsomega.8b02466 M Abdul Latif 1 , Jenna W J Wu 1 , Ryoichi Moriyama 1 , Motoyoshi Nakano 1 , Keijiro Ohshimo 1 , Fuminori Misaizu 1
Affiliation
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Stable compositions and structures of copper oxide cluster cations have been studied by ion mobility mass spectrometry (IMMS) and density functional theory calculations. Cluster ions of the series CunOm+ were predominantly observed with n:m ≈ 2:1 in the mass spectrum. Collision cross sections (CCSs) of the cluster ions with n:m ≈ 2:1, determined by IMMS, were found to increase monotonically with cluster size. In addition, the CCSs of CunOn+ and CunOn–1+ (n = 2–8) were examined, and stepwise increases were observed for CunOn–1+ series. These cluster structures were assigned by comparison of the CCSs obtained via the IMMS experiment with theoretical orientation-averaged CCSs of optimized structures.
中文翻译：
通过离子淌度质谱法研究氧化铜簇阳离子 CunOm+ (n = 2–8) 的稳定组成和结构
通过离子淌度质谱（IMMS）和密度泛函理论计算研究了氧化铜簇阳离子的稳定组成和结构。在质谱中主要观察到Cu n O m +系列的簇离子，其中n:m ≈ 2:1。通过 IMMS 测定， n:m ≈ 2:1的团簇离子的碰撞截面 (CCS)随团簇尺寸单调增加。此外，还对Cu n O n +和Cu n O n –1 + ( n = 2–8)的CCS进行了检查，发现Cu n O n –1 +系列呈逐步增加的趋势。这些簇结构是通过将 IMMS 实验获得的 CCS 与优化结构的理论方向平均 CCS 进行比较来分配的。
更新日期：2018-12-28
中文翻译：
通过离子淌度质谱法研究氧化铜簇阳离子 CunOm+ (n = 2–8) 的稳定组成和结构
通过离子淌度质谱（IMMS）和密度泛函理论计算研究了氧化铜簇阳离子的稳定组成和结构。在质谱中主要观察到Cu n O m +系列的簇离子，其中n:m ≈ 2:1。通过 IMMS 测定， n:m ≈ 2:1的团簇离子的碰撞截面 (CCS)随团簇尺寸单调增加。此外，还对Cu n O n +和Cu n O n –1 + ( n = 2–8)的CCS进行了检查，发现Cu n O n –1 +系列呈逐步增加的趋势。这些簇结构是通过将 IMMS 实验获得的 CCS 与优化结构的理论方向平均 CCS 进行比较来分配的。
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