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Jayasooriya, Upali A., Peck, Jamie N. T., Elaine Barclay, J., Hardy, Sinead M., Chumakov, Aleksandr I., Evans, David J., Pickett, Christopher J. and Oganesyan, Vasily S. 
ORCID: https://orcid.org/0000-0002-8738-1146
(2011)
Nuclear inelastic scattering spectroscopy of tris(acetylacetonate)iron(III); A vibrational probe via the iron atom.
Chemical Physics Letters, 518.
pp. 119-123.
Abstract
We report application of nuclear inelastic scattering (NIS) spectroscopy to the compound tris(acetylacetonate)iron(III), [Fe(III)(acac)3] enriched in 57Fe. Experimental results are compared with the simulated spectrum based on the normal mode analysis of the isolated [57Fe(III)(acac)3] molecule using DFT calculations. Good agreement between the peak positions and intensities of the simulated and experimental spectra enables complete and reliable assignment of the Fe-selective vibrational modes. It is concluded that in the solid state E modes are enhanced by coupling with the lattice modes. Additionally, infrared and Raman spectra of [Fe(III)(acac)3] are calculated from DFT and compared with experiment thus demonstrating the complementarity of these three vibrational spectroscopic techniques.
| Item Type: | Article |
|---|---|
| Faculty \ School: | Faculty of Science > School of Chemistry |
| Depositing User: | Rhiannon Harvey |
| Date Deposited: | 21 Mar 2012 15:55 |
| Last Modified: | 23 Oct 2022 00:30 |
| URI: | https://ueaeprints.uea.ac.uk/id/eprint/38420 |
| DOI: | 10.1016/j.cplett.2011.10.063 |
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