Abstract
Temperature dependent nuclear inelastic-scattering (NIS) of synchrotron radiation was applied to investigate both spin states of the spin-crossover complex [Fe(tpa)(NCS)2] (tpa = tris(2-pyridylmethyl)amine). A remarkable increase of the iron-ligand bond stretching upon spin crossover has unambiguously been identified by comparing the measured NIS spectra with theoretical simulations based on density-functional calculations.
| Original language | English |
|---|---|
| Journal | Hyperfine Interactions |
| Volume | 123-124 |
| Issue number | 1-4 |
| Pages (from-to) | 841-846 |
| Number of pages | 6 |
| ISSN | 0304-3843 |
| DOIs | |
| Publication status | Published - 01.12.1999 |