Polarizability, of molecule

In the first example of applications of the theory in this chapter, we made a point with respect to the polarizability of molecules and showed how the problem could have been handled by the RISM-SCF/MCSCF theory. However, the current level of our method has a serious limitation in this respect. The method can handle the polarizability of molecules in neat liquids or that of a single molecule in solution in a reasonable manner. But in order to be able to treat the polarizability of both solute and solvent molecules in solution, considerable generalization of the RISM side of the theory is required. When solvent molecules are situated within the influence of solute molecules, the solvent molecules are polarized differently depending on the distance from the solute molecules, and the solvent can no longer be neat. Therefore, the polarizable model developed for neat liquids is not valid. In such a case, solvent-solvent PCF should be treated under the solute... 

The SPARC (Sparc Performs Automated Reasoning in Chemistry) approach was introduced in the 1990s by Karickhoff, Carreira, Hilal and their colleagues [16-18]. This method uses LSER [19] to estimate perturbed molecular orbitals [20] to describe quantum effects such as charge distribuhon and delocalizahon, and polarizability of molecules followed by quanhtative structure-activity relationship (QSAR) studies to correlate structure with molecular properties. SPARC describes Gibbs energy of a given process (e.g. solvation in water) as a sum of ... 

The dielectric constant of a polymer (K) (which we also refer to as relative electric permittivity or electric inductive capacity) is a measure of its interaction with an electrical field in which it is placed. It is inversely related to volume resistivity. The dielectric constant depends strongly on the polarizability of molecules tvithin the polymer. In polymers with negligible dipole moments, the dielectric constant is low and it is essentially independent of temperature and the frequency of an alternating electric field. Polymers with polar constituents have higher dielectric constants. When we place such polymers in an electrical field, their dipoles attempt... 

In Chapter 6, the polarizability of molecules was considered as one factor related to both London and dipole-induced dipole intermolecular forces. The data shown in Table 9.6 confirm many of the observations that can be made about physical properties. For example, in the case of F2, Cl2, and Br2, the London forces that arise from the increase in polarizability result in a general increase in boiling point. 

We have said that the quantity dDldC is a direct reflection of the polarizability of molecules and the polarizability is given by q. (24),... 

Debye (1920) used polarizability of molecules to estimate attractive forces. 

W. Liptay, Dipole moments and polarizabilities of molecules in the excited electronic states , Reference Y I, p. 129. 

Another method is to use the molecules with relatively small ground state dipole moment (2). Weak dipole-dipole interaction can lead to non-centrosymmetric crystallization. However, it may decrease polarizability of molecules and result in low optical nonlinearities of molecular crystals. 

An understanding of gas-solid interaction as a physical origin begins with an appreciation of (total) polarizability of molecules which was described as being related to both the deformation polarizability and dipole moment (or orien- tational polarizability) properties of two different substances at an interface. 

In order to determine the intermolecular adsorption of Gibbs free energy, —AG a, in Eq. (48), two reference states and one intermolecular function state based on the polarizability of molecules are generally considered ... 

Conversely, this equation allows us to calculate the London dispersive component of the adsorbate-adsorbent interaction for a given liquid when the quantity (Avl)1/2 ao,L is defined as a characteristic of the probe considered, as listed in Table 6 from the basis of the polarizability of molecules (in Table 3). For polar probes, the additional or specific component of the Gibbs free energy, — AG P in Eq. (50) resulting from polar interactions is then determined by the distance between the experimental points A and B of same abscissa on the n-alkane lines as illustrated in Fig. 7. 

This is our approach [35,61] based on the intermolecular function state which is derived from the polarizability of molecules in the adsorbate-adsorbent system for the experimental results of inverse GC at infinite dilution. 

Method derived from the intermolecular function state on the basis of the polarizability of molecules [35,61,104]. 

Although the first two methods have been successfully applied to the low-energy solid surfaces, the only one discussed here is the method derived from the intermolecular function state related to the polarizability of molecules from a view point of theoretical and applied aspects. 

Lindsay, G. A. and Singer, K. D. (eds) (1995). Polymers for Second-Order Nonlinear Optics. ACS Symposium Series. American Chemical Society, Washington, DC Liptay, W. (1969). Angew. Chem. 81, 195 Angew. Chem. Int. Ed. Engl. 8, 177 Liptay, W. (1974). Excited States, Vol. 1. Dipole Moments and Polarizabilities of Molecules in Excited Electronic States (ed. E. C. Lim). Academic Press, New York, p. 129... 

The polarizabilities of molecules in a homologous series increase steadily with increasing numbers of atoms. Therefore, the relative strengths of... 

The strength of adsorption of unsaturated hydrocarbons by a polar adsorbent (zeolite) is much greater than for saturated hydrocarbons, and increases with increasing carbon number (Fig. 3) (5). This observation maybe understood as a consequence of the increasing polarizability of molecules with increasing numbers of bonds and the presence of dipole and stronger quadrupole moments in the unsaturated hydrocarbons compared to the saturated hydrocarbons. 

In discussing the experiments we must bear in mind that owing to the polarizability of molecules even a non-polar molecule acquires... 

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