Stable Compositions and Structures of Copper Oxide Cluster Cations Cu nO m                         + (n = 2-8) Studied by Ion Mobility Mass Spectrometry

M. Abdul Latif; Jenna W.J. Wu; Ryoichi Moriyama; Motoyoshi Nakano; Keijiro Ohshimo; Fuminori Misaizu

doi:10.1021/acsomega.8b02466

Stable Compositions and Structures of Copper Oxide Cluster Cations Cu _nO _m ⁺ (n = 2-8) Studied by Ion Mobility Mass Spectrometry

M. Abdul Latif, Jenna W.J. Wu, Ryoichi Moriyama, Motoyoshi Nakano, Keijiro Ohshimo, Fuminori Misaizu

Research output: Contribution to journal › Article › peer-review

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Abstract

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 Cu_nO_m ⁺ 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 Cu_nO_n ⁺ and Cu_nO_n-1 ⁺ (n = 2-8) were examined, and stepwise increases were observed for Cu_nO_n-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.

Original language	English
Pages (from-to)	18705-18713
Number of pages	9
Journal	ACS Omega
Volume	3
Issue number	12
DOIs	https://doi.org/10.1021/acsomega.8b02466
Publication status	Published - 2018 Dec 28

ASJC Scopus subject areas

Chemistry(all)
Chemical Engineering(all)

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title = "Stable Compositions and Structures of Copper Oxide Cluster Cations Cu nO m + (n = 2-8) Studied by Ion Mobility Mass Spectrometry",

abstract = "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.",

author = "{Abdul Latif}, M. and Wu, {Jenna W.J.} and Ryoichi Moriyama and Motoyoshi Nakano and Keijiro Ohshimo and Fuminori Misaizu",

note = "Funding Information: This work was supported by Grants-in-Aid for Scientific Research (Nos. 16K05641 and 18K14173) from the Japan Society for the Promotion of Science (JSPS), the Research Seeds Quest Program (JST), and the Murata Science Foundation. Part of the theoretical calculations were performed with the help of the Research Center for Computational Science, Okazaki, Japan. Publisher Copyright: {\textcopyright} 2018 American Chemical Society.",

year = "2018",

month = dec,

day = "28",

doi = "10.1021/acsomega.8b02466",

language = "English",

volume = "3",

pages = "18705--18713",

journal = "ACS Omega",

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publisher = "American Chemical Society",

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T1 - Stable Compositions and Structures of Copper Oxide Cluster Cations Cu nO m + (n = 2-8) Studied by Ion Mobility Mass Spectrometry

AU - Abdul Latif, M.

AU - Wu, Jenna W.J.

AU - Moriyama, Ryoichi

AU - Nakano, Motoyoshi

AU - Ohshimo, Keijiro

AU - Misaizu, Fuminori

N1 - Funding Information: This work was supported by Grants-in-Aid for Scientific Research (Nos. 16K05641 and 18K14173) from the Japan Society for the Promotion of Science (JSPS), the Research Seeds Quest Program (JST), and the Murata Science Foundation. Part of the theoretical calculations were performed with the help of the Research Center for Computational Science, Okazaki, Japan. Publisher Copyright: © 2018 American Chemical Society.

PY - 2018/12/28

Y1 - 2018/12/28

N2 - 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.

AB - 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.

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JO - ACS Omega

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IS - 12

ER -

Stable Compositions and Structures of Copper Oxide Cluster Cations Cu _nO _m ⁺ (n = 2-8) Studied by Ion Mobility Mass Spectrometry

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