High-spin low-spin transition

H. Grünsteudel; H. Paulsen; H. Winkler; A. X. Trautwein; H. Toftlund

doi:10.1023/a:1017056831002

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arXiv · 1206.6683

High-spin low-spin transition

H. Grünsteudel·H. Paulsen·H. Winkler·A. X. Trautwein·H. Toftlund

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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.

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H. Grünsteudel, H. Paulsen, H. Winkler, A. X. Trautwein, H. Toftlund. 2012-06-28. High-spin low-spin transition. https://doi.org/10.1023/a%3A1017056831002

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