Investigation of the thermal and conductive properties of oxalic acid salts with planar and undulating proton-conducting layers

The physical properties of two proton conductors 1 H -1,2,4-triazol-4-ium hydrogen oxalate (TriOX) and 1 H -imidazol-3-ium hydrogen oxalate (ImiOX) were investigated. For the ImiOX salt, we observed undulating conducting layers with cations protruding by about 20° above and below the anion plane, in...

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Published inCrystEngComm Vol. 22; no. 11; pp. 231 - 241
Main Authors Widelicka, Ma gorzata, awniczak, Pawe, Pietraszko, Adam, Pogorzelec-Glaser, Katarzyna, api ski, Andrzej
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 21.03.2020
Subjects
Conduction
Conductivity
Conductors
Crystallography
Oxalic acid
Physical properties
Planar structures
Protons
Quantum theory
Thermal stability
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Abstract The physical properties of two proton conductors 1 H -1,2,4-triazol-4-ium hydrogen oxalate (TriOX) and 1 H -imidazol-3-ium hydrogen oxalate (ImiOX) were investigated. For the ImiOX salt, we observed undulating conducting layers with cations protruding by about 20° above and below the anion plane, in contrast to the TriOX salt, in which the layers were planar. The effect of undulating conducting layers on the thermal and conductive properties of oxalic acid salts is discussed. The ImiOX salt, which contains undulating layers, exhibits a higher conductivity value ( σ dc = 1.2 × 10 −4 S m −1 at 493 K) than the TriOX salt with a planar structure ( σ dc = 1.2 × 10 −6 S m −1 at 449 K). Theoretical analysis of the Hirshfeld surface and the quantum theory of atoms in molecules (QTAiM) show that there are stronger interactions in ImiOX. The imidazolium salt has better thermal stability compared to TriOX. The physical properties of two proton conductors 1 H -1,2,4-triazol-4-ium hydrogen oxalate (TriOX) and 1 H -imidazol-3-ium hydrogen oxalate (ImiOX) were investigated.
AbstractList The physical properties of two proton conductors 1H-1,2,4-triazol-4-ium hydrogen oxalate (TriOX) and 1H-imidazol-3-ium hydrogen oxalate (ImiOX) were investigated. For the ImiOX salt, we observed undulating conducting layers with cations protruding by about 20° above and below the anion plane, in contrast to the TriOX salt, in which the layers were planar. The effect of undulating conducting layers on the thermal and conductive properties of oxalic acid salts is discussed. The ImiOX salt, which contains undulating layers, exhibits a higher conductivity value (σdc = 1.2 × 10−4 S m−1 at 493 K) than the TriOX salt with a planar structure (σdc = 1.2 × 10−6 S m−1 at 449 K). Theoretical analysis of the Hirshfeld surface and the quantum theory of atoms in molecules (QTAiM) show that there are stronger interactions in ImiOX. The imidazolium salt has better thermal stability compared to TriOX.
The physical properties of two proton conductors 1 H -1,2,4-triazol-4-ium hydrogen oxalate (TriOX) and 1 H -imidazol-3-ium hydrogen oxalate (ImiOX) were investigated. For the ImiOX salt, we observed undulating conducting layers with cations protruding by about 20° above and below the anion plane, in contrast to the TriOX salt, in which the layers were planar. The effect of undulating conducting layers on the thermal and conductive properties of oxalic acid salts is discussed. The ImiOX salt, which contains undulating layers, exhibits a higher conductivity value ( σ dc = 1.2 × 10 −4 S m −1 at 493 K) than the TriOX salt with a planar structure ( σ dc = 1.2 × 10 −6 S m −1 at 449 K). Theoretical analysis of the Hirshfeld surface and the quantum theory of atoms in molecules (QTAiM) show that there are stronger interactions in ImiOX. The imidazolium salt has better thermal stability compared to TriOX. The physical properties of two proton conductors 1 H -1,2,4-triazol-4-ium hydrogen oxalate (TriOX) and 1 H -imidazol-3-ium hydrogen oxalate (ImiOX) were investigated.
The physical properties of two proton conductors 1 H -1,2,4-triazol-4-ium hydrogen oxalate (TriOX) and 1 H -imidazol-3-ium hydrogen oxalate (ImiOX) were investigated. For the ImiOX salt, we observed undulating conducting layers with cations protruding by about 20° above and below the anion plane, in contrast to the TriOX salt, in which the layers were planar. The effect of undulating conducting layers on the thermal and conductive properties of oxalic acid salts is discussed. The ImiOX salt, which contains undulating layers, exhibits a higher conductivity value ( σ dc = 1.2 × 10 −4 S m −1 at 493 K) than the TriOX salt with a planar structure ( σ dc = 1.2 × 10 −6 S m −1 at 449 K). Theoretical analysis of the Hirshfeld surface and the quantum theory of atoms in molecules (QTAiM) show that there are stronger interactions in ImiOX. The imidazolium salt has better thermal stability compared to TriOX.
Author Widelicka, Ma gorzata
api ski, Andrzej
awniczak, Pawe
Pogorzelec-Glaser, Katarzyna
Pietraszko, Adam
AuthorAffiliation Institute of Molecular Physics
Polish Academy of Sciences
Institute of Low Temperature and Structure Research
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Snippet The physical properties of two proton conductors 1 H -1,2,4-triazol-4-ium hydrogen oxalate (TriOX) and 1 H -imidazol-3-ium hydrogen oxalate (ImiOX) were...
The physical properties of two proton conductors 1H-1,2,4-triazol-4-ium hydrogen oxalate (TriOX) and 1H-imidazol-3-ium hydrogen oxalate (ImiOX) were...
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SubjectTerms Conduction
Conductivity
Conductors
Crystallography
Oxalic acid
Physical properties
Planar structures
Protons
Quantum theory
Thermal stability
Title Investigation of the thermal and conductive properties of oxalic acid salts with planar and undulating proton-conducting layers
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