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Crystal structure of potassium sodium hepta-hydrogen hexa-molybdocobaltate(III) octa-hydrate: an extra-protonated B-series Anderson-type heteropolyoxidometalate.

Park KM, Joo HC, Lee U - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The title compound, KNa[Co(III)(OH)7{Mo6O17}]·8H2O, was obtained by the ion-exchange technique from K3[Co(μ3-OH)6Mo6O18]·7H2O.Six μ3-O atoms and one O atom of the bridging μ2-O atom are protonated.This novel polyanion protonated by an extra H atom is an unexpected polyanion species among the B-series Anderson-type polyoxidometalates (POMs), [X(n) (+)(μ3-OH)6Mo6O18]((6-n)-)] (X = heteroatom).

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Affiliation: Research Institute of Natural Science, Gyeongsang National University, 501 Jinju-daero, Jinju, 660-701, Republic of Korea.

ABSTRACT
The title compound, KNa[Co(III)(OH)7{Mo6O17}]·8H2O, was obtained by the ion-exchange technique from K3[Co(μ3-OH)6Mo6O18]·7H2O. Six μ3-O atoms and one O atom of the bridging μ2-O atom are protonated. This novel polyanion protonated by an extra H atom is an unexpected polyanion species among the B-series Anderson-type polyoxidometalates (POMs), [X(n) (+)(μ3-OH)6Mo6O18]((6-n)-)] (X = heteroatom). The extra H atom (seventh H atom) in the polyanion does not lie on a crystallographic centre of symmetry, but is located at the mid-point between two μ2-O atoms of adjacent polyanions, and forms a very short hydrogen bond [2.430 (5) Å]. The present structure is considered as particularly significant in understanding noncentrosymmetric strong hydrogen bonding.

No MeSH data available.


Difference Fourier map between atoms O7B and O10B, where H atoms were absent.
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fig2: Difference Fourier map between atoms O7B and O10B, where H atoms were absent.

Mentions: Consider the symmetry relation of O7B and O10B atoms, the electron density of the H atom between atoms O7B and O10B in the difference Fourier map (Fig. 2 ▸) and the very short O7B⋯O10B distance of 2.430 (5) Å. Also consider the bond elongations by protonation of Mo1/2—O7B and Mo4/5—O10B, and the bond angles of Mo—OB—Mo. These data suggest that O7B or O10B in the polyanion should be protonated.


Crystal structure of potassium sodium hepta-hydrogen hexa-molybdocobaltate(III) octa-hydrate: an extra-protonated B-series Anderson-type heteropolyoxidometalate.

Park KM, Joo HC, Lee U - Acta Crystallogr E Crystallogr Commun (2015)

Difference Fourier map between atoms O7B and O10B, where H atoms were absent.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4555401&req=5

fig2: Difference Fourier map between atoms O7B and O10B, where H atoms were absent.
Mentions: Consider the symmetry relation of O7B and O10B atoms, the electron density of the H atom between atoms O7B and O10B in the difference Fourier map (Fig. 2 ▸) and the very short O7B⋯O10B distance of 2.430 (5) Å. Also consider the bond elongations by protonation of Mo1/2—O7B and Mo4/5—O10B, and the bond angles of Mo—OB—Mo. These data suggest that O7B or O10B in the polyanion should be protonated.

Bottom Line: The title compound, KNa[Co(III)(OH)7{Mo6O17}]·8H2O, was obtained by the ion-exchange technique from K3[Co(μ3-OH)6Mo6O18]·7H2O.Six μ3-O atoms and one O atom of the bridging μ2-O atom are protonated.This novel polyanion protonated by an extra H atom is an unexpected polyanion species among the B-series Anderson-type polyoxidometalates (POMs), [X(n) (+)(μ3-OH)6Mo6O18]((6-n)-)] (X = heteroatom).

View Article: PubMed Central - HTML - PubMed

Affiliation: Research Institute of Natural Science, Gyeongsang National University, 501 Jinju-daero, Jinju, 660-701, Republic of Korea.

ABSTRACT
The title compound, KNa[Co(III)(OH)7{Mo6O17}]·8H2O, was obtained by the ion-exchange technique from K3[Co(μ3-OH)6Mo6O18]·7H2O. Six μ3-O atoms and one O atom of the bridging μ2-O atom are protonated. This novel polyanion protonated by an extra H atom is an unexpected polyanion species among the B-series Anderson-type polyoxidometalates (POMs), [X(n) (+)(μ3-OH)6Mo6O18]((6-n)-)] (X = heteroatom). The extra H atom (seventh H atom) in the polyanion does not lie on a crystallographic centre of symmetry, but is located at the mid-point between two μ2-O atoms of adjacent polyanions, and forms a very short hydrogen bond [2.430 (5) Å]. The present structure is considered as particularly significant in understanding noncentrosymmetric strong hydrogen bonding.

No MeSH data available.