Simultaneous electron diffraction and mass-spectrometric study of the structure of the MoF5 molecule

• Published in: Journal of structural chemistry Vol. 38; no. 1; pp. 54 - 61
• Main Authors: Giricheva, N. I., Krasnova, O. G., Girichev, G. V.
• Format: Journal Article
• Language: English
• Published: New York Springer Nature B.V 01-01-1997
• Subjects: Electron diffraction; Facsimile communication; Molecular structure; Spectrometry; Symmetry
• ISSN: 0022-4766; 1573-8779
• DOI: 10.1007/BF02768807

Electron diffraction data for the MoF5 molecule are analyzed in terms of an ra structure. Three models of the geometrical structure, which have D3h, C4v, and C2v symmetry, are considered. It is confirmed that a distorted bipyramid of C2v symmetry is the best model that is in agreement with experimental electron diffraction data. The model has three different types of nuclear Mo-F distances: rα(Mo-F1eq) = 1.720(5) Å, rα(Mo-F2eq) = 1.826(7) Å, rα(Mo-Fax) = 1.825(7) Å. The bond angle between the pseudoaxial bonds is 168.1(0.6)‡, and the angle between the Mo-F2eq pseudoequatorial bonds is 122.6(0.8)‡. The ra(Mo-Fleq) and ra(Mo-F2eq) distances differ significantly. Possible reasons for this are discussed.