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Nuclear inelastic scattering of 1D polymeric Fe(II) complexes of 1,2,4-aminotriazole in their high-spin and low-spin state

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Abstract

The vibrational properties of Fe(II) 1D spin crossover polymers have been characterized by nuclear inelastic scattering (NIS). The complexes under study were the tosylate and perchlorate salts of ([Fe(4-amino-1,2,4-triazole)3]\(^{+2})_{\rm n}\) complexes. The complexes have LS (S = 0) marker bands in the range of 300–500 cm − 1, while the marker bands corresponding to the HS (S = 2) state are detected between 200 cm − 1 and 300 cm − 1, in line with the decreasing Fe-N bond strengths during the transition from LS to HS. Accompanying DFT calculations using the functional B3LYP and the basis set CEP-31G confirm these assignments.

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Authors and Affiliations

  1. Department of Physics, University of Kaiserslautern, Erwin-Schrödinger-Str. 46, 67663, Kaiserslautern, Germany

    Juliusz A. Wolny, Sergej Rackwitz, Kai Muffler & Volker Schünemann

  2. Department of Physics, Technische Universität München, 87548, Garching, Germany

    Klaus Achterhold

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  1. Juliusz A. Wolny
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  2. Sergej Rackwitz
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  3. Klaus Achterhold
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  4. Kai Muffler
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  5. Volker Schünemann
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Correspondence to Juliusz A. Wolny.

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Wolny, J.A., Rackwitz, S., Achterhold, K. et al. Nuclear inelastic scattering of 1D polymeric Fe(II) complexes of 1,2,4-aminotriazole in their high-spin and low-spin state. Hyperfine Interact 204, 129–132 (2012). https://doi.org/10.1007/s10751-011-0446-x

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  • DOI: https://doi.org/10.1007/s10751-011-0446-x

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