Permanent electric dipole

Forces Molecules are attracted to surfaces as the result of two types of forces dispersion-repulsion forces (also called London or van der Waals forces) such as described by the Lennard-Jones potential for molecule-molecule interactions and electrostatic forces, which exist as the result of a molecule or surface group having a permanent electric dipole or quadrupole moment or net electric charge. 

It should be noted that, if the medium between the particle and substrate is something other than vacuum and possesses a dielectric constant e, the interaction energy in Eq. 68 is reduced by a factor of Eq. 68, which relates the interaction energy between permanent electric dipoles and their separation distances is known as the Keesom effect. 

At the molecular level, electric quadrupoles can lead to useful structural information. Thus, whilst the absence of a permanent electric dipole in CO2 simply means that the molecule is linear, the fact that the electric quadrupole moment is negative shows that our simple chemical intuition of 0 C" 0 is correct. The definition of quadrupole moment is only independent of the coordinate origin when the charges sum to zero and when the electric dipole moment is zero. 

Breakdown of the Bom-Oppenheimer approximation is responsible for the small but non-zero permanent electric dipole moment of HD (2 x 10 Cm, Trefler and Gush, 1968) but otherwise the effect is negligible to chemical accuracy. 

Here, auir) is the mean polarizability of a pair of species separated by distance r, while pn is their electric dipole moment and U the potential energy, p o is the permanent electric dipole moment for the two species at infinity. 

The quantum mechanics treatment of diamagnetism has not been published. It seems probable, however, that Larmor s theorem will be retained essentially, in view of the marked similarity between the results of the quantum mechanics and those of the classical theory in related problems, such as the polarisation due to permanent electric dipoles and the paramagnetic susceptibility. f Thus we are led to use equation (30), introducing for rK2 the quantum mechanics value... 

Besides these response properties of a molecule we will also devote one section in this chapter to the experimentally important infrared intensities, which are needed to complement the theoretically predicted frequencies for the complete computational simulation of an IR spectrum. This discussion belongs in the present chapter because the infrared intensities are related to the derivative of the permanent electric dipole moment p with respect to geometrical parameters. 

Born-Oppenheimer approximation, permanent electric dipole moment, 246—249... 

Standar model (SM), particle physics, electron electric dipole moment, 242-243 Stark effect, permanent electric dipole moment, 245-249... 

Usually we call neutral molecule as polar one if it has considerable permanent electric dipole moment /i°. The total dipole moment should include also an induced one, aR (a is a polarizability of the molecule, R is the intensity of electric field interacting with molecule), and may be presen ted as /i = /<° + a . Permanent part of dipole moment for nonsymmetrical organic molecules usually accepted to be essentially larger than induced one that is why orientational forces or interactions of permanent electric dipoles are the most important in polar solutions [1,2,4,12, 39]. 

There are two general cases of dipole-dipole forces those between molecules in which the distribution of electronic charge is centrosymmetric and those in which it is not. In the first case, there are no permanent electrical dipoles, whereas there is a permanent dipole if the charge distribution is non-centro-symmetric. When permanent dipoles are not present, there are nevertheless fluctuating dipoles as a result of atomic vibrations. These are always present because of zero-point motion. At temperatures greater than 0°K, thermal energy further excites the molecular vibrational modes which create fluctuating electric dipoles. 

Rotational spectra are due to charges that occur on molecules with permanent electric dipole moments. As the molecule rotates the dipole moment... 

Pyroelectric detectors depend on the use of a thin slice of ferroelectric material (deuterated triglycine sulfate [DTGS], Figure 5.6, is the standard example) - in which the molecules of the organic crystal are naturally aligned with a permanent electric dipole. The thin slab is cut and arranged such that the direction... 

An interaction, either intermolecular or intramolecular, between molecules, groups, or bonds having a permanent electric dipole moment. The distance and relative orientation between the two dipoles governs the strength of this interaction. See also van der Waals Forces... 

LiH is the simplest uncharged molecule that has a permanent electric dipole moment. We examine here some of the properties of the simplest VB functions for this molecule. The molecule is oriented along the z-axis with the Li atom in the positive direction. 

Orientation polarization can occur in materials composed of molecules that have permanent electric dipole moments. The permanent dipoles tend to become aligned with the apphed electric field, but entropy and thermal effects tend to counter this alignment. Thus, orientation polarization is highly temperature-dependent, unlike the forms of induced polarization which are nearly temperature-independent. In electric fields of moderate intensity, the orientation polarization is proportional to the local electric field, as for the other forms of polarization... 

Upon, since the permanent electric dipole moment per molecule, Pe, is measurable quantity. The two quantities are related by a relationship similar to the Curie Law, which we shall elaborate upon in Section 6.2 ... 

By analogy with ferromagnetism, ferroelectricity is the property by which a crystal has a permanent electric dipole moment which can be reversed by the application of an electric field. The perovskite BaTiOs, in which the BaO layers are compressed and the Ti02 layers stretched (see Fig. 13.1), is a ferroelectric... 

Molecular electronic dipole moments, pi, and dipole polarizabilities, a, are important in determining the energy, geometry, and intermolecular forces of molecules, and are often related to biological activity. Classically, the pKa electric dipole moment pic can be expressed as a sum of discrete charges multiplied by the position vector r from the origin to the ith charge. Quantum mechanically, the permanent electric dipole moment of a molecule in electronic state Wei is defined simply as an expectation value ... 

Note that since both /z and E are vector quantities, a is a second-rank tensor. The elements of a can be computed through differentiation of Eqs. (9.1) and (9.2). The difference between die permanent electric dipole moment and that measured in the presence of an electric field is referred to as the induced dipole moment. 

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