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 | |
| Publication status | Published - Mar 2008 |
| Externally published | Yes |
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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 journal › Article
}
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 -