English

High-spin low-spin transition

Chemical Physics 2012-06-29 v1

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.

Keywords

Cite

@article{arxiv.1206.6683,
  title  = {High-spin low-spin transition},
  author = {H. Grünsteudel and H. Paulsen and H. Winkler and A. X. Trautwein and H. Toftlund},
  journal= {arXiv preprint arXiv:1206.6683},
  year   = {2012}
}
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