Effect of counter ions on physical properties of imidazole-based proton conductors

Zięba, Sylwia; Dubis, Alina T.; Ławniczak, Paweł; Gzella, Andrzej; Pogorzelec‐Glaser, Katarzyna; Łapiński, Andrzej

doi:10.1016/j.electacta.2019.03.125

Cited by 20 publications

(35 citation statements)

References 61 publications

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“…The formation of the amine salt results from the transfer phenomenon of a proton from the Lewis acid unit to the Lewis base. Bands at 1579 and 1380 cm −1 are due to the out-of-phase and in-phase COO − stretching vibrations of the carboxylate COO − group, respectively [ 14 , 15 ].…”

Section: Resultsmentioning

confidence: 99%

“…Besides TPT, a new class of imidazole-based organic proton conductors has been developed lately [ 12 , 13 ]. Many proton-conducting salts are based on heterocyclic bases and aromatic acids, such as imidazolium salts of benzoic, salicylic, orthophthalic, and terephthalic acids [ 14 , 15 ]. Nevertheless, the hydrogen bonds formed in such solids were weak and medium strength, and their mechanism of conductivity is based on the Grotthuss mechanism.…”

Section: Introductionmentioning

confidence: 99%

“…On the other hand, the number and location of the carboxylic group influence the thermal stability and electrical conductivity of the proton conductors [ 15 ]. For example, imidazolium orthophthalate and terephthalate revealed high thermal stability with values of 464 and 422 K, respectively, and imidazolium orthophthalate also presented good electrical conductivity (10 −1 S⸱m −1 ) [ 14 ]. There are many proton-conducting salts with high proton conductivity.…”

Section: Introductionmentioning

confidence: 99%

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Spectroscopic and Structural Study of a New Conducting Pyrazolium Salt

et al. 2021

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The increase in conductivity with temperature in 1H-pyrazol-2-ium 2,6-dicarboxybenzoate monohydrate was analyzed, and the influence of the mobility of the water was discussed in this study. The electric properties of the salt were studied using the impedance spectroscopy method. WB97XD/6-311++G(d,p) calculations were performed, and the quantum theory of atoms in molecules (QTAiM) approach and the Hirshfeld surface method were applied to analyze the hydrogen bond interaction. It was found that temperature influences the spectroscopic properties of pyrazolium salt, particularly the carbonyl and hydroxyl frequencies. The influence of water molecules, connected by three-center hydrogen bonds with co-planar tetrameters, on the formation of structural defects is also discussed in this report.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Spectroscopic and Structural Study of a New Conducting Pyrazolium Salt

et al. 2021

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“…The use of CNF can allow increasing the concentration of heterocycles in synthesized composites and thus increase the conductivity and reduce the activation energy of the proton transport process. The imidazole molecules are heterocycles showing high thermal stability (the melting point of imidazole is 90°C, and the boiling point is 257°C), amphoteric character, and a high degree of self-dissociation (Bhatnagar et al 2011;Widelicka et al 2017;Zięba et al 2019). Imidazole can be immobilized in a polymeric material, but retain the ability of local dynamics, reorientation, dissociation, and tautomerization (Zhao et al 2016).…”

Section: Introductionmentioning

confidence: 99%

New liquid-free proton conductive nanocomposite based on imidazole-functionalized cellulose nanofibers

et al. 2020

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The first successful attempt to synthesize a new proton conducting polymeric nanocomposite film based on pure cellulose nanofibers (CNF) as a polymer matrix functionalized on their surface with imidazole molecules (Im) as a dopant, was made. The 2CNF-Im nanomaterial contains on average one molecule of imidazole per 2 glucose units from cellulose chains. Water evaporation and thermal stability of 2CNF-Im were studied by thermogravimetric analysis (TGA and DTG) and differential scanning calorimetry (DSC). The temperature dependence of electrical conductivity was studied by the impedance spectroscopy. At 140 °C, the 2CNF-Im nanocomposite has a maximum conductivity of 7.0 × 10−3 S/m, i.e. four orders of magnitude higher than that of non-functionalized CNF matrix. The newly synthesized cellulose nanocomposite exhibits high electrical and thermal stability. In 2CNF-Im, the activation energy of the proton transport process is the lowest compared to the previously synthesized imidazole-functionalized composites based on other pure cellulose materials and equals 0.62 eV. The synthesized nanomaterial is liquid-free solid polymer electrolyte showing proton conductivity above the boiling point of water.

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“…Doubleminimum potentials appeared for both PT processes, unlike in the gas phase, indicating that this phenomenon originated from the crystal field effect. 3 The rotated ImH + in PS rotated again in the counterclockwise direction to form 4. Then, Im rotated clockwise in two steps (5 and 6) to form the initial orientation.…”

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confidence: 99%

Proton Conduction Mechanism for Anhydrous Imidazolium Hydrogen Succinate Based on Local Structures and Molecular Dynamics

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Dekura

Sunairi

et al. 2021

J. Phys. Chem. Lett.

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Anhydrous organic crystalline materials incorporating imidazolium hydrogen succinate (Im-Suc), which exhibit high proton conduction even at temperatures above 100 °C, are attractive for elucidating proton conduction mechanisms toward the development of solid electrolytes for fuel cells. Herein, quantum chemical calculations were used to investigate the proton conduction mechanism in terms of hydrogenbonding (H-bonding) changes and restricted molecular rotation in Im-Suc. The local H-bond structures for proton conduction were characterized by vibrational frequency analysis and compared with corresponding experimental data. The calculated potential energy surface involving proton transfer (PT) and imidazole (Im) rotational motion showed that PT between Im and succinic acid was a rate-limiting step for proton transport in Im-Suc and that proton conduction proceeded via the successive coupling of PT and Im rotational motion based on a Grotthusstype mechanism. These findings provide molecular-level insights into proton conduction mechanisms for Im-based (or -incorporated) H-bonding organic proton conductors.

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Effect of counter ions on physical properties of imidazole-based proton conductors

Cited by 20 publications

References 61 publications

Spectroscopic and Structural Study of a New Conducting Pyrazolium Salt

Spectroscopic and Structural Study of a New Conducting Pyrazolium Salt

New liquid-free proton conductive nanocomposite based on imidazole-functionalized cellulose nanofibers

Proton Conduction Mechanism for Anhydrous Imidazolium Hydrogen Succinate Based on Local Structures and Molecular Dynamics

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