Skip to main content

Lund University Publications

LUND UNIVERSITY LIBRARIES

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.

(Less)
Please use this url to cite or link to this publication:
author
; ; ; and
publishing date
type
Contribution to journal
publication status
published
in
Solid State Sciences
volume
4
issue
8
pages
6 pages
publisher
Elsevier
external identifiers
  • scopus:0036698381
ISSN
1293-2558
DOI
10.1016/S1293-2558(02)01352-3
language
English
LU publication?
no
id
d5be5634-4803-43c5-98ca-02920db2938c
date added to LUP
2019-04-08 15:36:11
date last changed
2025-10-14 11:31:41
@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    = {{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}},
}