Correlations among solvent polarity scales, dielectric constant and dipole moment, and a means to reliable predictions of polarity scale values from cu

Griffiths, Trevor R.; Pugh, Donald C.

doi:10.1016/s0010-8545(00)82109-8

Cited by 162 publications

(45 citation statements)

References 93 publications

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“…1 (A)). Dielectric constant (which can be interpreted as a measure of polarity [37]) of MeOH (ε = 33.30 [38]) is significantly higher than dielectric constant of PrNH2 (ε = 5.42 [39]). The more polar MeOH molecules probably solvate some of the As30Se70 ionic dissolution products, which are otherwise insoluble or only partially soluble in pure PrNH2.…”

Section: Resultsmentioning

confidence: 96%

Solution processed As₃₀Se₇₀chalcogenide glass thin films with specular optical quality: multi-component solvent approach

Šlang

Pálka

Janíček

et al. 2018

Opt. Mater. Express

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We present the study of volatile amine-based single or multi-component solvent formulations and their influence on As30Se70 chalcogenide glass solubility and dissolution mechanism. The source As30Se70 bulk glass was dissolved in various amine based solvents and solutions of quantitatively dissolved bulk glass were used for thin films deposition by spincoating technique. The methanoln-propylamine solvent mixture proved to be suitable for preparation of thin films in specular optical quality, low surface roughness and targeted composition. The post-deposition thermal treatment has high impact on thickness, optical properties and structure of studied thin films. The content of organic residuals was also significantly reduced.

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Section: Resultsmentioning

confidence: 96%

Solution processed As₃₀Se₇₀chalcogenide glass thin films with specular optical quality: multi-component solvent approach

Šlang

Pálka

Janíček

et al. 2018

Opt. Mater. Express

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“…The dielectric constant of the polymer electrolyte ε p reflects the strength of solvent polarity. 43 Since the MD simulations here were performed with periodic boundary conditions and Ewald summation, the dielectric constant of neat and salt-doped PEO can be computed from the fluctuations in the total dipole moment M of the PEO via the equation for a nonpolarizable model 44 where ε 0 is the vacuum permittivity, k B is Boltzmann’s constant, T is the temperature, V is the average volume of the simulation box, and ⟨ ⟩ is the ensemble averages. In experimental studies, the dielectric constant can mainly be tuned by changing the polymer chemistry through side chains 15 , 16 or backbone.…”

Section: Resultsmentioning

confidence: 99%

Effects of Solvent Polarity on Li-ion Diffusion in Polymer Electrolytes: An All-Atom Molecular Dynamics Study with Charge Scaling

2020

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We herein report an all-atom molecular dynamics study on the role of solvent polarity for Li + diffusion in polymer electrolytes using PEO–LiTFSI (poly(ethylene oxide)–lithium bis(trifluoromethane)sulfonimide) as a model system. By separating the effect of T g and the effect of solvent polarity in our simulations, we show that the maximum in the diffusion coefficient of Li + with respect to the dielectric constant of polymer solvent ε p is due to transitions in the transport mechanism. In particular, it is found that the frequent interchain hopping involves the coordination of both PEO and TFSI. This optimal solvating ability of PEO at an intermediate value of ε p leads to the fast ion conduction. These findings highlight the synergetic effect of solvent polarity and bond polarity on Li-ion diffusion in solid polymer electrolytes.

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“…It was concluded [41] that high donor numbers could be predicted with reasonable confidence from this correlation. Many correlations with the DN scale, established with a restricted sample of bases, have been unduly generalized.…”

Section: Critical Discussionmentioning

confidence: 81%

The Donor Number or SbCl ₅ Affinity Scale

Laurence

Gal

2009

Lewis Basicity and Affinity Scales

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The first calorimetric measurements on the reaction of SbCl 5 with Lewis bases in solution seem to have been made in 1963 by Olofsson [1]. Later, this author published a series of papers between 1963 and 1973 on the enthalpy of complexation of SbCl 5 with numerous carbonyl bases [2][3][4][5][6][7][8][9][10][11], and also a few ethers [11,12], methanol [12], water [13] and nitrobenzene [11]. Gutmann extended this series to a host of different Lewis bases [14,15] and proposed, in 1966, the concept of donor number (DN) [16][17][18] to express quantitatively the Lewis basicity of solvents. Although the DN scale has been proposed and extensively used [19-21] as a solvent parameter, it relies on measurements made on dilute solutions of bases. It is, therefore, a solute scale and not a solvent scale of Lewis affinity. Structure of SbCl 5 ComplexesThe SbCl 5 molecule shows D 3h symmetry in its trigonal bipyramidal configuration. By complexation with one molecule of Lewis base, B, it distorts to an irregular octahedron as shown by the X-ray structures of the solid complexes listed in Table 2.1.The X-ray structure of a representative complex is shown in Figure 2.1. It can be seen that the Sb O bond of the HCONMe 2 -SbCl 5 complex [22] is much shorter (2.048Å) than the sum of the van der Waals radii (2.2 + 1.4 = 3.6Å) and slightly longer than the sum of the covalent radii (1.41 + 0.56 = 1.97Å) of the antimony and oxygen atoms. The Sb O vector points in the direction of a putative sp 2 lone pair of oxygen (SbOC = 124.5 • ). The preferred lone pair of oxygen is the less sterically hindered one, on the hydrogen side.Interestingly, SbCl 5 coordinates to the nitrogen and not to the sulfur atom of the polyfunctional bases S 2 N 2 (CSD reference code GIRXEK) and S 4 N 4 [23]. According to the HSAB rule that hard acids prefer hard bases, and since nitrogen bases are classified as hard or borderline whereas sulfur bases are soft, this site preference enables SbCl 5 to be Lewis Basicity and Affinity Scales: Data and Measurement

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Correlations among solvent polarity scales, dielectric constant and dipole moment, and a means to reliable predictions of polarity scale values from cu

Cited by 162 publications

References 93 publications

Solution processed As₃₀Se₇₀chalcogenide glass thin films with specular optical quality: multi-component solvent approach

Solution processed As₃₀Se₇₀chalcogenide glass thin films with specular optical quality: multi-component solvent approach

Effects of Solvent Polarity on Li-ion Diffusion in Polymer Electrolytes: An All-Atom Molecular Dynamics Study with Charge Scaling

The Donor Number or SbCl ₅ Affinity Scale

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Correlations among solvent polarity scales, dielectric constant and dipole moment, and a means to reliable predictions of polarity scale values from cu

Cited by 162 publications

References 93 publications

Solution processed As30Se70chalcogenide glass thin films with specular optical quality: multi-component solvent approach

Solution processed As30Se70chalcogenide glass thin films with specular optical quality: multi-component solvent approach

Effects of Solvent Polarity on Li-ion Diffusion in Polymer Electrolytes: An All-Atom Molecular Dynamics Study with Charge Scaling

The Donor Number or SbCl 5 Affinity Scale

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Product

Resources

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Solution processed As₃₀Se₇₀chalcogenide glass thin films with specular optical quality: multi-component solvent approach

Solution processed As₃₀Se₇₀chalcogenide glass thin films with specular optical quality: multi-component solvent approach

The Donor Number or SbCl ₅ Affinity Scale