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Article: Nuclear inelastic scattering studies of a 1D- polynuclear spin crossover complex of Fe(II) urea-triazoles
| Title | Nuclear inelastic scattering studies of a 1D- polynuclear spin crossover complex of Fe(II) urea-triazoles |
|---|---|
| Authors | |
| Keywords | Density functional theory Molecular magnetism Nuclear inelastic scattering Spin crossover |
| Issue Date | 15-Mar-2018 |
| Publisher | Springer |
| Citation | Hyperfine Interactions, 2018, v. 239, n. 1 How to Cite? |
| Abstract | The partial density of vibrational states (pDOS) of the low-spin isomer of the tosylate salt of [Fe{(N-Propyl)-N′-(1,2,4-triazole-4-yl-urea)}3]2+ was determined by nuclear inelastic scattering experiments performed at 8 K. The pDOS features a rich band structure from 320 to 500 cm−1, characteristic of the low spin state of the complex. Density functional theory calculations (B3LYP/CEP-31G) were used to assign molecular modes to the experimentally observed peak in the pDOS. |
| Persistent Identifier | http://hdl.handle.net/10722/367045 |
| ISSN | 2023 SCImago Journal Rankings: 0.284 |
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Wolny, J.A. | - |
| dc.contributor.author | Sakshath, S. | - |
| dc.contributor.author | Jenni, K. | - |
| dc.contributor.author | Scherthan, L. | - |
| dc.contributor.author | Auerbach, H. | - |
| dc.contributor.author | Wille, H.C. | - |
| dc.contributor.author | Li, A.M. | - |
| dc.contributor.author | von Malotki, C. | - |
| dc.contributor.author | Rentschler, E. | - |
| dc.contributor.author | Schünemann, V. | - |
| dc.date.accessioned | 2025-12-02T00:35:23Z | - |
| dc.date.available | 2025-12-02T00:35:23Z | - |
| dc.date.issued | 2018-03-15 | - |
| dc.identifier.citation | Hyperfine Interactions, 2018, v. 239, n. 1 | - |
| dc.identifier.issn | 0304-3843 | - |
| dc.identifier.uri | http://hdl.handle.net/10722/367045 | - |
| dc.description.abstract | The partial density of vibrational states (pDOS) of the low-spin isomer of the tosylate salt of [Fe{(N-Propyl)-N′-(1,2,4-triazole-4-yl-urea)}3]2+ was determined by nuclear inelastic scattering experiments performed at 8 K. The pDOS features a rich band structure from 320 to 500 cm−1, characteristic of the low spin state of the complex. Density functional theory calculations (B3LYP/CEP-31G) were used to assign molecular modes to the experimentally observed peak in the pDOS. | - |
| dc.language | eng | - |
| dc.publisher | Springer | - |
| dc.relation.ispartof | Hyperfine Interactions | - |
| dc.rights | This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License. | - |
| dc.subject | Density functional theory | - |
| dc.subject | Molecular magnetism | - |
| dc.subject | Nuclear inelastic scattering | - |
| dc.subject | Spin crossover | - |
| dc.title | Nuclear inelastic scattering studies of a 1D- polynuclear spin crossover complex of Fe(II) urea-triazoles | - |
| dc.type | Article | - |
| dc.identifier.doi | 10.1007/s10751-018-1496-0 | - |
| dc.identifier.scopus | eid_2-s2.0-85044053634 | - |
| dc.identifier.volume | 239 | - |
| dc.identifier.issue | 1 | - |
| dc.identifier.eissn | 1572-9540 | - |
| dc.identifier.issnl | 0304-3843 | - |