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<p>Peroxosolvates are commonly employed as solid-state sources for hydrogen peroxide in various scientific and industrial applications. However, among the hydrogen peroxide adducts, nitrate peroxosolvates remain poorly studied. This study reports the synthesis and characterization of two crystalline peroxosolvates of triethylenediamine (DABCO) derivatives: H<sub>2</sub>DABCO dinitrate (C<sub>6</sub>H<sub>14</sub>N<sub>2</sub>)(NO<sub>3</sub>)<sub>2</sub>·H<sub>2</sub>O<sub>2</sub> (<b>1</b>) and DABCO <i>N</i>,<i>N</i>′-dioxide mononitrate (C<sub>6</sub>H<sub>13</sub>N<sub>2</sub>O<sub>2</sub>)(NO<sub>3</sub>)·2H<sub>2</sub>O<sub>2</sub> (<b>2</b>). The peroxosolvates were synthesized using 50 wt% aqueous hydrogen peroxide and characterized by permanganometry, CHN elemental analysis, powder X-ray diffraction, and differential thermal and thermogravimetric analyses. The crystal structure of peroxosolvates was determined by single-crystal X-ray diffraction analysis. Hydrogen peroxide acts only as a hydrogen bond donor to O atoms of nitrate anions and the <i>N</i>-O moiety. One of H<sub>2</sub>O<sub>2</sub> hydrogen bonds in compound <b>1</b> is bifurcated, which is quite rare for peroxosolvates. The crystal structures of both compounds are stabilized by a rich network of hydrogen bonds.</p>

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Crystalline hydrogen peroxide adducts of triethylenediamine and triethylenediamine N,N′-dioxide nitrates

  • 期刊论文

  • 发表日期：

    2025年6月6日

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  • Alexander G. Medvedev,
  • Elena A. Mel’nik,
  • Petr V. Prikhodchenko

摘要

Peroxosolvates are commonly employed as solid-state sources for hydrogen peroxide in various scientific and industrial applications. However, among the hydrogen peroxide adducts, nitrate peroxosolvates remain poorly studied. This study reports the synthesis and characterization of two crystalline peroxosolvates of triethylenediamine (DABCO) derivatives: H2DABCO dinitrate (C6H14N2)(NO3)2·H2O2 (1) and DABCO N,N′-dioxide mononitrate (C6H13N2O2)(NO3)·2H2O2 (2). The peroxosolvates were synthesized using 50 wt% aqueous hydrogen peroxide and characterized by permanganometry, CHN elemental analysis, powder X-ray diffraction, and differential thermal and thermogravimetric analyses. The crystal structure of peroxosolvates was determined by single-crystal X-ray diffraction analysis. Hydrogen peroxide acts only as a hydrogen bond donor to O atoms of nitrate anions and the N-O moiety. One of H2O2 hydrogen bonds in compound 1 is bifurcated, which is quite rare for peroxosolvates. The crystal structures of both compounds are stabilized by a rich network of hydrogen bonds.