| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9591365 | Journal of Molecular Structure: THEOCHEM | 2005 | 7 Pages |
Abstract
A systematic theoretical DFT study of the bonding between the cation Fe3+ and the anion H2PO4â was carried out. By interesting in tetrahedral, bipyramidal and octahedral environments around the iron ion, several isomers were studied and their geometries were established in each case. Calculated infra-red spectra were also done.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
A. Dhouib, K. Essalah, B. Tangour, M. Abderrabba,