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High-spin low-spin transition

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.

preprint2012arXivOpen access

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

physics.chem-ph

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

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