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 journalArticle

3 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 languageEnglish
Pages (from-to)467-472
Number of pages6
JournalJournal of Solid State Chemistry
Volume181
Issue number3
DOIs
Publication statusPublished - Mar 2008
Externally publishedYes

Fingerprint

Neutron diffraction
dioxides
Manganese
neutron diffraction
Protons
manganese
Substitution reactions
substitutes
protons
Deuterium
Intercalation
intercalation
deuterium
Hydrogen
Neutron scattering
radial distribution
Distribution functions
tunnels
manganese dioxide
Tunnels

Keywords

  • γ-MnO
  • Isotopic substitution
  • Neutron scattering
  • Proton

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

The structure of manganese dioxide and position of proton studied by neutron diffraction with isotopic substitution. / Pitteloud, Cédric; Nagao, Miki; Itoh, Keiji; Kanno, Ryoji.

In: Journal of Solid State Chemistry, Vol. 181, No. 3, 03.2008, p. 467-472.

Research output: Contribution to journalArticle

@article{6e8b339fd7d941009595db7ea615c7a9,
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 = "γ-MnO, Isotopic substitution, Neutron scattering, Proton",
author = "C{\'e}dric Pitteloud and Miki Nagao and Keiji Itoh and Ryoji Kanno",
year = "2008",
month = "3",
doi = "10.1016/j.jssc.2007.11.030",
language = "English",
volume = "181",
pages = "467--472",
journal = "Journal of Solid State Chemistry",
issn = "0022-4596",
publisher = "Academic Press Inc.",
number = "3",

}

TY - JOUR

T1 - The structure of manganese dioxide and position of proton studied by neutron diffraction with isotopic substitution

AU - Pitteloud, Cédric

AU - Nagao, Miki

AU - Itoh, Keiji

AU - Kanno, Ryoji

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 - γ-MnO

KW - Isotopic substitution

KW - Neutron scattering

KW - Proton

UR - http://www.scopus.com/inward/record.url?scp=39649090291&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=39649090291&partnerID=8YFLogxK

U2 - 10.1016/j.jssc.2007.11.030

DO - 10.1016/j.jssc.2007.11.030

M3 - Article

VL - 181

SP - 467

EP - 472

JO - Journal of Solid State Chemistry

JF - Journal of Solid State Chemistry

SN - 0022-4596

IS - 3

ER -