Synthesis and Characterization of High-Energy Anti-Perovskite Compounds Cs3X[B12H12] Based on Cesium Dodecahydro-Closo-Borate with Molecular Oxoanions (X− = [NO3]−, [ClO3]− and [ClO4]−)
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Published:2024-01-12
Issue:2
Volume:29
Page:382
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ISSN:1420-3049
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Container-title:Molecules
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language:en
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Short-container-title:Molecules
Author:
Aghaei Hakkak Rouzbeh1, Tiritiris Ioannis1, Schleid Thomas1ORCID
Affiliation:
1. Institute for Inorganic Chemistry, University of Stuttgart, D-70569 Stuttgart, Germany
Abstract
Three novel anti-perovskite compounds, formulated as Cs3X[B12H12] (X− = [NO3]−, [ClO3]−, and [ClO4]−), were successfully synthesized through the direct mixing of aqueous solutions containing Cs2[B12H12] and CsX (X−: [NO3]−, [ClO3]−, [ClO4]−), followed by isothermal evaporation. All three compounds crystallize in the orthorhombic space group Pnma, exhibiting relatively similar unit-cell parameters (e.g., Cs3[ClO3][B12H12]: a = 841.25(5) pm, b = 1070.31(6) pm, c = 1776.84(9) pm). The crystal structures were determined using single-crystal X-ray diffraction, revealing a distorted hexagonal anti-perovskite order for each. Thermal analysis indicated that the placing oxidizing anions X− into the 3 Cs+ + [B12H12]2− blend leads to a reduction in the thermal stability of the resulting anti-perovskites Cs3X[B12H12] as compared to pure Cs2[B12H12], so thermal decomposition commences at lower temperatures, ranging from 320 to 440 °C. Remarkably, the examination of the energy release through DSC studies revealed that these compounds are capable of setting free a substantial amount of energy, up to 2000 J/g, upon their structural collapse under an inert-gas atmosphere (N2). These three compounds represent pioneering members of the first ever anti-perovskite high-energy compounds based on hydro-closo-borates.
Funder
Federal State of Baden-Württemberg
Subject
Chemistry (miscellaneous),Analytical Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Molecular Medicine,Drug Discovery,Pharmaceutical Science
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