Twinned α-LiRb2(CF3SO3)3

Pompetzki, M.; Friese, Karen; Jansen, Martin

doi:10.1107/s0108270103021693

Cited by 3 publications

(2 citation statements)

References 8 publications

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“…1990, 192, 233. (4) Wilmer, D.; Banhatti, R. D.; Funke, K.; Jansen, M.; Korus of lithium, 19,20 sodium, 21 potassium, 22 and cesium triflate, 23 as well as the mixed-phase LiRb 2 SO 3 CF 3 , 24 were solved from either single-crystal intensity data or high-resolution X-ray powder diffraction data. The crystal structures of the hightemperature modifications of lithium 25 and cesium triflates 23 have been determined from temperature-dependent highresolution synchrotron powder diffraction measurements.…”

Section: Introductionmentioning

confidence: 99%

“…The distinct tendency to disordered phases at elevated temperatures makes the growths of single crystals suitable for structure determination difficult. The crystal structures of the room-temperature modifications of lithium, , sodium, potassium, and cesium triflate, as well as the mixed-phase LiRb 2 SO 3 CF 3 , were solved from either single-crystal intensity data or high-resolution X-ray powder diffraction data. The crystal structures of the high-temperature modifications of lithium and cesium triflates 23 have been determined from temperature-dependent high-resolution synchrotron powder diffraction measurements.…”

Section: Introductionmentioning

confidence: 99%

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Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO₃CF₃

2006

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The crystal structures of three polymorphic phases of rubidium trifluoromethyl sulfonate (RbSO3CF3, rubidium 'triflate') were solved from X-ray powder diffraction data. At room temperature, rubidium triflate crystallizes in the monoclinic space group Cm with lattice parameters of a = 19.9611(5) A, b = 23.4913(7) A, c = 5.1514(2) A, beta = 102.758(2) degrees; Z = 16. At T = 321 K, a first-order phase transition occurs toward a monoclinic phase in space group P2(1) with lattice parameters at T = 344 K of a = 10.3434(5) A, b = 5.8283(3) A, c = 5.1982(3) A, beta = 104.278(6) degrees; Z = 2). At T = 461 K, another phase transition, this time of second order, occurs toward an orthorhombic phase in space group Cmcm with lattice parameters at T = 510 K of a = 5.3069(2) A, b = 20.2423(10) A, c = 5.9479(2) A; Z = 4. As a common feature within all three crystal structures of rubidium triflate, the triflate anions are arranged in double layers with the lipophilic CF3 groups facing each other. The rubidium ions are located between the SO3 groups. The general packing is similar to the packing in cesium triflate. Rubidium triflate can be classified as a solid electrolyte with a specific ionic conductivity of sigma = 9.89 x 10(-9) S/cm at T = 384 K and sigma = 3.84 x 10(-6) S/cm at T = 481 K.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO₃CF₃

2006

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Prediction of the Formation and Stabilities of Energetic Salts and Ionic Liquids Based on ab Initio Electronic Structure Calculations

et al. 2005

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A computational approach to predict the thermodynamics for forming a variety of imidazolium-based salts and ionic liquids from typical starting materials is described. The gas-phase proton and methyl cation acidities of several protonating and methylating agents, as well as the proton and methyl cation affinities of many important methyl-, nitro-, and cyano-substituted imidazoles, have been calculated reliably by using the computationally feasible DFT (B3LYP) and MP2 (extrapolated to the complete basis set limit) methods. These accurately calculated proton and methyl cation affinities of neutrals and anions are used in conjunction with an empirical approach based on molecular volumes to estimate the lattice enthalpies and entropies of ionic liquids, organic solids, and organic liquids. These quantities were used to construct a thermodynamic cycle for salt formation to reliably predict the ability to synthesize a variety of salts including ones with potentially high energetic densities. An adjustment of the gas phase thermodynamic cycle to account for solid- and liquid-phase chemistries provides the best overall assessment of salt formation and stability. This has been applied to imidazoles (the cation to be formed) with alkyl, nitro, and cyano substituents. The proton and methyl cation donors studied were as follows: HCl, HBr, HI, (HO)2SO2, HSO3CF3 (TfOH), and HSO3(C6H4)CH3 (TsOH); CH3Cl, CH3Br, CH3I, (CH3O)2SO2, CH3SO3CF3 (TfOCH3), and CH3SO3(C6H4)CH3 (TsOCH3). As substitution of the cation with electron-withdrawing groups increases, the triflate reagents appear to be the best overall choice as protonating and methylating agents. Even stronger alkylating agents should be considered to enhance the chances of synthetic success. When using the enthalpies of reaction for the gas-phase reactants (eq 6) to form a salt, a cutoff value of -13 kcal mol(-1) or lower (more negative) should be used as the minimum value for predicting whether a salt can be synthesized.

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Selective chemical etching for termination layer control of BaSnO3 and 2DEG formation at the LaInO3/BaSnO3 interface

Kim,

Char

2023

APL Materials

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An ex situ chemical etching method was developed to achieve a SnO2-terminated surface in BaSnO3 films. An SnO2-terminated surface is crucial for the formation of a (LaO)+/(SnO2)0 interface structure to form the two-dimensional electron gas (2DEG) state at the LaInO3 (LIO)/BaSnO3 (BSO) interface. By employing a 9:1 mixture of acetone and water, the etching rate of the surface barium oxide (BaO) layer could be effectively controlled, taking advantage of the solubility of BaO in water. To determine the optimal etching conditions, we investigated the relationship between the etching time and the resulting 2DEG conductance. The optimum times for maximizing the conductance of the 2DEG state were found to be 90 s on SrTiO3 substrates and 40 s on MgO substrates, generating a higher conductance than the in situ SnO2 dusting method reported earlier. The surface properties before and after the chemical etching were analyzed by angle reserved x-ray photoelectron spectroscopy.

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Twinned α-LiRb₂(CF₃SO₃)₃

Cited by 3 publications

References 8 publications

Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO₃CF₃

Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO₃CF₃

Prediction of the Formation and Stabilities of Energetic Salts and Ionic Liquids Based on ab Initio Electronic Structure Calculations

Selective chemical etching for termination layer control of BaSnO3 and 2DEG formation at the LaInO3/BaSnO3 interface

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Twinned α-LiRb2(CF3SO3)3

Cited by 3 publications

References 8 publications

Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO3CF3

Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO3CF3

Prediction of the Formation and Stabilities of Energetic Salts and Ionic Liquids Based on ab Initio Electronic Structure Calculations

Selective chemical etching for termination layer control of BaSnO3 and 2DEG formation at the LaInO3/BaSnO3 interface

Contact Info

Product

Resources

About

Twinned α-LiRb₂(CF₃SO₃)₃

Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO₃CF₃

Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO₃CF₃