Theoretical and experimental study of medium effects on the structure and spectroscopy of the [Fe(CN)5NO]2- ion
The influence of the solvent on the structure and IR spectrum of the [Fe(CN)5NO]2- ion is investigated by using gradient corrected density functional theory. IR spectra are also measured on different solvents and the results obtained are compared with the predicted ones. We have treated the solvent...
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| Autores principales: | Estrin, D.A., Baraldo, L.M., Slep, L.D., Barja, B.C., Olabe, J.A., Paglieri, L., Corongiu, G. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00201669_v35_n13_p3897_Estrin |
| Aporte de: |
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