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ToolsJayasooriya, 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. (2011) Nuclear inelastic scattering spectroscopy of tris(acetylacetonate)iron(III); A vibrational probe via the iron atom. Chemical Physics Letters, 518. pp. 119-123.
Full text not available from this repository.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 (former - to 2024) |
| UEA Research Groups: | Faculty of Science > Research Groups > Physical and Analytical Chemistry (former - to 2017) Faculty of Science > Research Groups > Biophysical Chemistry (former - to 2017) Faculty of Science > Research Groups > Synthetic Chemistry (former - to 2017) Faculty of Science > Research Groups > Chemistry of Light and Energy Faculty of Science > Research Groups > Chemistry of Life Processes Faculty of Science > Research Centres > Centre for Molecular and Structural Biochemistry Faculty of Science > Research Groups > Centre for Photonics and Quantum Science |
| Depositing User: | Rhiannon Harvey |
| Date Deposited: | 21 Mar 2012 15:55 |
| Last Modified: | 06 Feb 2025 01:36 |
| URI: | https://ueaeprints.uea.ac.uk/id/eprint/38420 |
| DOI: | 10.1016/j.cplett.2011.10.063 |
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