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Abstract <p>The dehydration of the hydrate of the neutral spin-crossover- (<i>S</i> = 5/2 ↔ <i>S</i> = 1/2) complex [Fe<sup>III</sup>(Hthpy)(thpy)]·H<sub>2</sub>O (<b>1</b>) based on the pyruvic acid thiosemicarbazone ligand (H<sub>2</sub>thpy) has been studied by temperature-dependent <sup>57</sup>Fe Mössbauer spectroscopy. It has been shown that the release of water from the structure of polycrystalline sample <b>1</b> in the temperature range 92–160°С is associated with the formation of the neutral complex [Fe<sup>II</sup>(Hthpy)<sub>2</sub>] stabilized in the high-spin state (<i>S</i> = 2). A comparative analysis of the spectral parameters of complex <b>1</b> and the anhydrous neutral spin-crossover complex [Fe<sup>III</sup>(Hthpy)(thpy)] (<b>2</b>) has revealed that complex <b>2</b> retains its spectral characteristics when heated in air in a similar temperature range.</p>

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A Mössbauer Spectroscopy Study of Dehydration of the Hydrate of a Neutral Spin-Crossover Fe(III) Complex Based on the Pyruvic Acid Thiosemicarbazone Ligand

  • 期刊论文

  • 发表日期：

    2025年10月1日

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  • M. A. Blagov,
  • A. S. Lobach,
  • S. V. Simonov,
  • N. G. Spitsyna

摘要

Abstract

The dehydration of the hydrate of the neutral spin-crossover- (S = 5/2 ↔ S = 1/2) complex [FeIII(Hthpy)(thpy)]·H2O (1) based on the pyruvic acid thiosemicarbazone ligand (H2thpy) has been studied by temperature-dependent 57Fe Mössbauer spectroscopy. It has been shown that the release of water from the structure of polycrystalline sample 1 in the temperature range 92–160°С is associated with the formation of the neutral complex [FeII(Hthpy)2] stabilized in the high-spin state (S = 2). A comparative analysis of the spectral parameters of complex 1 and the anhydrous neutral spin-crossover complex [FeIII(Hthpy)(thpy)] (2) has revealed that complex 2 retains its spectral characteristics when heated in air in a similar temperature range.