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 |
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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 |