6.2.2. Definition of Effective Properties 3064 6.3. Response Properties to Magnetic Fields 3066 6.3.1. Nuclear Shielding 3066 6.3.2. Indirect Spin−Spin Coupling 3067 6.3.3. EPR Parameters 3068 6.4. Properties of Chiral Systems 3069 6.4.1. Electronic Circular Dichroism (ECD) 3069 6.4.2. Optical Rotation (OR) 3069 6.4.3. VCD and VROA 3070 7. Continuum and Discrete Models 3071 7.1. Continuum Methods within MD and MC Simulations 3072

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Quantum mechanical continuum solvation models.

The dispersion and absorption of a considerable number of liquid and dielectrics are represented by the empirical formula e*−e∞=(e0−e∞)/[1+(iωτ0)1−α]. In this equation, e* is the complex dielectric constant, e0 and e∞ are the ``static'' and ``infinite frequency'' dielectric constants, ω=2π times the frequency, and τ0 is a generalized relaxation time. The parameter α can assume values between 0 and 1, the former value giving the result of Debye for polar dielectrics. The expression (1) requires that the locus of the dielectric constant in the complex plane be a circular arc with end points on the axis of reals and center below this axis.If a distribution of relaxation times is assumed to account for Eq. (1), it is possible to calculate the necessary distribution function by the method of Fuoss and Kirkwood. It is, however, difficult to understand the physical significance of this formal result.If a dielectric satisfying Eq. (1) is represented by a three‐element electrical circuit, the mechanism responsible...

Dispersion and Absorption in Dielectrics I. Alternating Current Characteristics

https://www.tau.ac.il/%7Eklafter1/258.pdf

The random walk's guide to anomalous diffusion: a fractional dynamics approach

https://dspace.library.uu.nl/bitstream/handle/1874/23806/brug_84_the+analysis+of+electrode+impedances.pdf?sequence=1

The analysis of electrode impedances complicated by the presence of a constant phase element

A complex plane representation of dielectric and mechanical relaxation processes in some polymers

Static dielectric constants of solid hydrogen bromide have been measured from 186 to 70°K, and dispersion and loss below 89°K in the frequency range 15 cy to 5 Mc. Special cell designs minimized formation of cracks and voids in the polycrystalline sample, as such flaws were shown by several lines of evidence to cause serious errors. Static dielectric constants above 117°K are in quite good agreement with Onsager's equation. In phase II, stable below 113°K, the dielectric constant rises to a peak of 200 at 89°K, then falls to a value of 32 at 70°K in phase III. The principal dispersion below 89°K follows a circular arc locus with α=0.3, and a rate expression with activation energy 2.7 kcal/mole. A second dispersion is observed at much higher frequencies with energy 1.59 kcal/mole, and it is suggested that the two dispersions are a consequence of crystal anisotropy.

Dielectric Properties of Hydrogen Halides. II. Hydrogen Chloride

: The pressure-induced infrared absorption spectrum of gaseous methane was observed using a 10m cell and 4-10 atm. pressure in the region 200-550 cm. The intensity can be expressed according to the relation: A(nu) = gamma(nu)(d sq), where A(nu) is the absorbance at frequency nu, and d is the gas density. The spectrum is interpreted in terms of rotational transitions in a pair of CH4 molecules possessing a transient dipole moment induced by the octopole moment of the molecule. (Author)

The pressure-induced infrared spectrum of methane.

Abstract : The pressure-induced infrared absorption spectrum of gaseous methane was observed using a 10m cell and 4-10 atm. pressure in the region 200-550 cm. The intensity can be expressed according to the relation: A(nu) = gamma(nu)(d sq), where A(nu) is the absorbance at frequency nu, and d is the gas density. The spectrum is interpreted in terms of rotational transitions in a pair of CH4 molecules possessing a transient dipole moment induced by the octopole moment of the molecule. (Author)

Pressure‐Induced Infrared Spectrum of Methane

The dielectric constants and densities of eight aliphatic ketones were determined over nearly the entire temperature range of the liquid phase The results lead to the conclusion that dipole‐dipole coupling is the important factor in determining the dielectric constants of these liquids The data show definite departures from Onsager's theory Use of the Onsager formula to calculate dipole moments from dielectric constant data on the pure polar liquids, as suggested by Bottcher, is not justified in the case of the ketones and is to be undertaken with caution in other cases It is not possible to attribute the departures for the ketones to proton bonding The results are, however, consistent with Kirkwood's more detailed theory It is further shown that dielectric constants of normal aliphatic alcohols are consistent with Kirkwood's theory as applied to a crude model of the liquid ``structure'' of these alcohols

Robert H. Cole

Papers

Dielectric Properties of Hydrogen Halides. II. Hydrogen Chloride

The pressure-induced infrared spectrum of methane.

Pressure‐Induced Infrared Spectrum of Methane

Dielectric Constants of Aliphatic Ketones

Dielectric constant and association in liquid HF