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Effects from hydrogen bonds on water structure in (H3O)2[Mo6 Cl8X6]·yH2O X = Cl (y = 7), Br (y = 6), or I (y = 6)

Flemström, A. ; Hirsch, T. K. ; Sehlstedt, L. ; Lidin, S. LU and Ojamäe, L. (2002) In Solid State Sciences 4(8). p.1017-1022
Abstract

The compounds (a) (H3O)2[Mo6Cl8 Cl6]·7H2O, (b) (H3O)2[Mo6 Cl8Br6]·6H2O and (c) (H3O)2[Mo6 Cl8I6].6H2O were synthesized from MoCl2 and the corresponding halide acid. The structures were determined by X-ray diffraction and refined in the monoclinic space groups, (a) C2/c and for (b) and (c) P21/a. The cell parameters were for (a), a = 17.3607(2), b = 9.1351(7), c = 18.6300(2) Å and β = 98.13(1)°, (b) a = 17.4295(2), b = 9.3803(10), c = 9.3769(12) Å and β = 101.04(1)° and (c) a = 18.0083(10), b = 9.7612(10), c = 9.8139(12)... (More)

The compounds (a) (H3O)2[Mo6Cl8 Cl6]·7H2O, (b) (H3O)2[Mo6 Cl8Br6]·6H2O and (c) (H3O)2[Mo6 Cl8I6].6H2O were synthesized from MoCl2 and the corresponding halide acid. The structures were determined by X-ray diffraction and refined in the monoclinic space groups, (a) C2/c and for (b) and (c) P21/a. The cell parameters were for (a), a = 17.3607(2), b = 9.1351(7), c = 18.6300(2) Å and β = 98.13(1)°, (b) a = 17.4295(2), b = 9.3803(10), c = 9.3769(12) Å and β = 101.04(1)° and (c) a = 18.0083(10), b = 9.7612(10), c = 9.8139(12) Å and β = 100.20(2)°. The positions of the hydrogen atoms were determined by theoretical energy optimization. The structures are compared with respect to the effect of hydrogen bonding on the water structure.

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type
Contribution to journal
publication status
published
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Solid State Sciences
volume
4
issue
8
pages
6 pages
publisher
Editions scientifiques Elsevier
external identifiers
  • scopus:0036698381
ISSN
1293-2558
DOI
10.1016/S1293-2558(02)01352-3
language
English
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no
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d5be5634-4803-43c5-98ca-02920db2938c
date added to LUP
2019-04-08 15:36:11
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2020-02-19 05:25:04
@article{d5be5634-4803-43c5-98ca-02920db2938c,
  abstract     = {<p>The compounds (a) (H<sub>3</sub>O)<sub>2</sub>[Mo<sub>6</sub>Cl<sub>8</sub> Cl<sub>6</sub>]·7H<sub>2</sub>O, (b) (H<sub>3</sub>O)<sub>2</sub>[Mo<sub>6</sub> Cl<sub>8</sub>Br<sub>6</sub>]·6H<sub>2</sub>O and (c) (H<sub>3</sub>O)<sub>2</sub>[Mo<sub>6</sub> Cl<sub>8</sub>I<sub>6</sub>].6H<sub>2</sub>O were synthesized from MoCl<sub>2</sub> and the corresponding halide acid. The structures were determined by X-ray diffraction and refined in the monoclinic space groups, (a) C2/c and for (b) and (c) P2<sub>1</sub>/a. The cell parameters were for (a), a = 17.3607(2), b = 9.1351(7), c = 18.6300(2) Å and β = 98.13(1)°, (b) a = 17.4295(2), b = 9.3803(10), c = 9.3769(12) Å and β = 101.04(1)° and (c) a = 18.0083(10), b = 9.7612(10), c = 9.8139(12) Å and β = 100.20(2)°. The positions of the hydrogen atoms were determined by theoretical energy optimization. The structures are compared with respect to the effect of hydrogen bonding on the water structure.</p>},
  author       = {Flemström, A. and Hirsch, T. K. and Sehlstedt, L. and Lidin, S. and Ojamäe, L.},
  issn         = {1293-2558},
  language     = {eng},
  month        = {08},
  number       = {8},
  pages        = {1017--1022},
  publisher    = {Editions scientifiques Elsevier},
  series       = {Solid State Sciences},
  title        = {Effects from hydrogen bonds on water structure in (H<sub>3</sub>O)<sub>2</sub>[Mo<sub>6</sub> Cl<sub>8</sub>X<sub>6</sub>]·yH<sub>2</sub>O X = Cl (y = 7), Br (y = 6), or I (y = 6)},
  url          = {http://dx.doi.org/10.1016/S1293-2558(02)01352-3},
  doi          = {10.1016/S1293-2558(02)01352-3},
  volume       = {4},
  year         = {2002},
}