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Abstract <p>The magnetic properties of (NH<sub>4</sub>)<sub>2</sub>[ReCl<sub>6</sub>], [Pd(NH<sub>3</sub>)<sub>4</sub>][ReCl<sub>6</sub>], and [Pt(NH<sub>3</sub>)<sub>4</sub>][ReCl<sub>6</sub>] complexes are studied in the temperature range of 2-300&#xa0;K. The presence of weakly interacting rhenium(IV) ions is revealed with an antiferromagnetic transition at low temperatures in the range of 11-13&#xa0;K. Theoretical broken-symmetry DFT computations show a weak antiferromagnetic interaction between [ReCl<sub>6</sub>]<sup>2–</sup>. To determine zero-field splitting parameters and magnetic properties the CASSCF/NEVPT2 computations are performed with the experimental [ReCl<sub>6</sub>]<sup>2–</sup> geometries of the studied complexes.</p>

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Magnetic Properties of (NH4)2[ReCl6], [Pd(NH3)4][ReCl6], and [Pt(NH3)4][ReCl6] Compounds and the X-Ray Photoelectron Analysis of Their Electronic Structures

  • 期刊论文

  • 发表日期：

    2026年3月1日

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  • I. P. Asanov,
  • A. D. Fedorenko,
  • S. N. Berdyugin,
  • V. A. Gaas,
  • A. S. Bogomyakov

摘要

Abstract

The magnetic properties of (NH4)2[ReCl6], [Pd(NH3)4][ReCl6], and [Pt(NH3)4][ReCl6] complexes are studied in the temperature range of 2-300 K. The presence of weakly interacting rhenium(IV) ions is revealed with an antiferromagnetic transition at low temperatures in the range of 11-13 K. Theoretical broken-symmetry DFT computations show a weak antiferromagnetic interaction between [ReCl6]2–. To determine zero-field splitting parameters and magnetic properties the CASSCF/NEVPT2 computations are performed with the experimental [ReCl6]2– geometries of the studied complexes.