Reexamination of the structure of MoO(O2)2 (H2O)(hmpa), hmpa=hexamethylphosphoramide by crystallographic and theoretical means
Document Type
Article
Publication Date
11-8-2005
Department
Department of Chemistry; Department of Physics
Abstract
The crystal structure of MoO(O2)2(H 2O)(hmpa), hmpa=hexamethylphosphoramide, has been reassessed and corrected as one of the axial parameters (namely the c-axis) was reported incorrectly. This resulted in significant differences in the internal geometry of the molecule, notably an decreased O-O atom distance (≈0.03 Å) in the metal-bonded peroxo ligands. Crystal packing forces and a flat bending potential of the Mo-O-P angle accounts for discrepancies between theory and experimental structures.
Publication Title
Journal of Molecular Structure
Recommended Citation
Bayse, C.,
Jimtaisong, A.,
Kandalam, A.,
Luck, R.,
Pandey, R.,
&
Stevens, M.
(2005).
Reexamination of the structure of MoO(O2)2 (H2O)(hmpa), hmpa=hexamethylphosphoramide by crystallographic and theoretical means.
Journal of Molecular Structure,
754(1-3), 96-99.
http://doi.org/10.1016/j.molstruc.2005.06.020
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/6909