The structure of manganese dioxide and position of proton studied by neutron diffraction with isotopic substitution

Cédric Pitteloud; Miki Nagao; Keiji Itoh; Ryoji Kanno

doi:10.1016/j.jssc.2007.11.030

The structure of manganese dioxide and position of proton studied by neutron diffraction with isotopic substitution

Cédric Pitteloud, Miki Nagao, Keiji Itoh, Ryoji Kanno

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

4 Citations (Scopus)

Abstract

The position of proton inside manganese dioxide, γ-MnO₂, was studied by the total neutron-scattering technique using H/D isotopic substitution. The first-order difference was obtained by subtracting the results for the two different isotopic compositions and obtaining the weighted sum of partial structure factors and radial distribution functions related to the structure around hydrogens. The deuterium-substituted γ-MnO₂ was prepared by de-intercalation of the proton via an oxidative treatment prior to re-intercalation with deuterium. The proton occupied two different positions with the H-O length of 1.0 and 1.9 Å, which corresponds to the 'Ruetschi' and 'Coleman' protons, respectively. The former protons situated in the Mn⁴⁺ vacant site and the latter in the tunnel centered in an oxygen octahedron. The isotopic substitution technique and the structure around protons are discussed in details.

Original language	English
Pages (from-to)	467-472
Number of pages	6
Journal	Journal of Solid State Chemistry
Volume	181
Issue number	3
DOIs	https://doi.org/10.1016/j.jssc.2007.11.030
Publication status	Published - Mar 2008
Externally published	Yes

Keywords

Isotopic substitution
Neutron scattering
Proton
γ-MnO

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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title = "The structure of manganese dioxide and position of proton studied by neutron diffraction with isotopic substitution",

abstract = "The position of proton inside manganese dioxide, γ-MnO2, was studied by the total neutron-scattering technique using H/D isotopic substitution. The first-order difference was obtained by subtracting the results for the two different isotopic compositions and obtaining the weighted sum of partial structure factors and radial distribution functions related to the structure around hydrogens. The deuterium-substituted γ-MnO2 was prepared by de-intercalation of the proton via an oxidative treatment prior to re-intercalation with deuterium. The proton occupied two different positions with the H-O length of 1.0 and 1.9 {\AA}, which corresponds to the 'Ruetschi' and 'Coleman' protons, respectively. The former protons situated in the Mn4+ vacant site and the latter in the tunnel centered in an oxygen octahedron. The isotopic substitution technique and the structure around protons are discussed in details.",

keywords = "Isotopic substitution, Neutron scattering, Proton, γ-MnO",

author = "C{\'e}dric Pitteloud and Miki Nagao and Keiji Itoh and Ryoji Kanno",

note = "Funding Information: We thank The Swiss National Science Foundation, and the Japan Society for the Promotion of Science for financial support. This work was also partly supported by a Grant-in-Aid from The Ministry of Education, Culture and Sports, Science and Technology of Japan and by Genesis Research Institute. We also thank The KEK neutron facility at Tsukuba, Japan, for neutron beam time and technical support. Copyright: Copyright 2008 Elsevier B.V., All rights reserved.",

year = "2008",

month = mar,

doi = "10.1016/j.jssc.2007.11.030",

language = "English",

volume = "181",

pages = "467--472",

journal = "Journal of Solid State Chemistry",

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AU - Pitteloud, Cédric

AU - Nagao, Miki

AU - Itoh, Keiji

AU - Kanno, Ryoji

N1 - Funding Information: We thank The Swiss National Science Foundation, and the Japan Society for the Promotion of Science for financial support. This work was also partly supported by a Grant-in-Aid from The Ministry of Education, Culture and Sports, Science and Technology of Japan and by Genesis Research Institute. We also thank The KEK neutron facility at Tsukuba, Japan, for neutron beam time and technical support. Copyright: Copyright 2008 Elsevier B.V., All rights reserved.

PY - 2008/3

Y1 - 2008/3

N2 - The position of proton inside manganese dioxide, γ-MnO2, was studied by the total neutron-scattering technique using H/D isotopic substitution. The first-order difference was obtained by subtracting the results for the two different isotopic compositions and obtaining the weighted sum of partial structure factors and radial distribution functions related to the structure around hydrogens. The deuterium-substituted γ-MnO2 was prepared by de-intercalation of the proton via an oxidative treatment prior to re-intercalation with deuterium. The proton occupied two different positions with the H-O length of 1.0 and 1.9 Å, which corresponds to the 'Ruetschi' and 'Coleman' protons, respectively. The former protons situated in the Mn4+ vacant site and the latter in the tunnel centered in an oxygen octahedron. The isotopic substitution technique and the structure around protons are discussed in details.

AB - The position of proton inside manganese dioxide, γ-MnO2, was studied by the total neutron-scattering technique using H/D isotopic substitution. The first-order difference was obtained by subtracting the results for the two different isotopic compositions and obtaining the weighted sum of partial structure factors and radial distribution functions related to the structure around hydrogens. The deuterium-substituted γ-MnO2 was prepared by de-intercalation of the proton via an oxidative treatment prior to re-intercalation with deuterium. The proton occupied two different positions with the H-O length of 1.0 and 1.9 Å, which corresponds to the 'Ruetschi' and 'Coleman' protons, respectively. The former protons situated in the Mn4+ vacant site and the latter in the tunnel centered in an oxygen octahedron. The isotopic substitution technique and the structure around protons are discussed in details.

KW - Isotopic substitution

KW - Neutron scattering

KW - Proton

KW - γ-MnO

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