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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Wolny, J.A., Rackwitz, S., Achterhold, K., Muffler, K., Schünemann, V. (2013). Nuclear inelastic scattering of 1D polymeric Fe(II) complexes of 1,2,4-aminotriazole in their high-spin and low-spin state. In: Yoshida, Y. (eds) ICAME 2011. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-4762-3_17
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DOI: https://doi.org/10.1007/978-94-007-4762-3_17
Publisher Name: Springer, Dordrecht
Print ISBN: 978-94-007-4761-6
Online ISBN: 978-94-007-4762-3
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