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Structure of anhydrous alkali-metal formates

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Wilson, Michael P, Alcock, Nathaniel W. and Rodger, P. Mark (2006) Structure of anhydrous alkali-metal formates. Inorganic Chemistry, Volume 45 (Number 11). pp. 4359-4363. doi:10.1021/ic051910q

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Official URL: http://dx.doi.org/10.1021/ic051910q

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Abstract

Single-crystal X-ray diffraction has yielded new crystal structures for cesium formate (CsOOCH) and rubidium formate (RbOOCH). The cesium formate structure has the same unit cell and space group as that published from powder X-ray diffraction data ( Masuda, Y.; Yahata, A.; Ogawa, H. Inorg. Chem. 1995, 34, 3130 - 3133) but differs radically in the placement and orientation of the formate ions. The new crystal structure has been successfully modeled with an empirical force field based on pair potentials, whereas it proved impossible to develop a force field that gave an adequate description of the powder structure. For rubidium formate, the gross structure is similar to that previously published ( Masuda, Y.; Morita, W.; Yahata, A.; Yukawa, Y. Thermochim. Acta 1998, 318, 39 43), but the space group includes a mirror plane (Pbcm rather than Pbc2(1)). From this information, we have been able to analyze the effect of the cation size on the crystal structure for alkali-metal formates.

Item Type: Journal Article
Subjects: Q Science > QD Chemistry
Divisions: Faculty of Science > Chemistry
Journal or Publication Title: Inorganic Chemistry
Publisher: American Chemical Society
ISSN: 0020-1669
Official Date: 29 May 2006
Dates:
DateEvent
4 November 2005Submitted
3 May 2006Available
29 May 2006Published
Volume: Volume 45
Number: Number 11
Number of Pages: 5
Page Range: pp. 4359-4363
DOI: 10.1021/ic051910q
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access

Data sourced from Thomson Reuters' Web of Knowledge

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