Molecular orientation structure

Infrared and AFM Studies of Time-Dependent Changes in Molecular Orientation, Structure, and Morphology in One-Layer LB Films of Alkyl-TCNQ... 

Infrared spectroscopy and AFM were also used to explore time-dependent changes in molecular orientation, structure, and morphology in one-layer LB films of dodecyl-, pentadecyl-, and octadecyl-TCNQ [34], Fig. 5(a)-(d) show time-dependent changes in the 3000-2800, 2250-2190, 1580-1500, and... 

Figure 9.23. Molecular orientation structures of the SmCy and AF phases based on the one-dimensional Ising model.

As for the molecular orientation structures of the SmCy and AF phases discussed on p. 273, recent detailed ellipsometry measurements succeeded in modeling the distorted structures that are distorted from the Ising model and clock model (P.M. Johnson, D.A. Olson, S. Pankratz, T. Nguyen, J. Goodby, M. Hird, and C.C. Huang, Phys. Rev. Lett. 84, 4870 (2000)) and are essentially the same as a distorted Ising model [76]. 

In order to use liquid crystalline polymers as commercial optical films, it is necessary to achieve both the immobilization of the liquid crystal molecular oriented structure and the orientation control of the liquid crystalline polymer. However, in the 1980s there was no technology that could satisfy both requirements and it was necessary to develop it ourselves. The key phrase at that time was do not be bound by common sense. ... 

Immobilization of the Liquid Crystal Molecular Oriented Structure... 

Fig. 9.4 Local molecular orientation structure of antiferroelectric liquid crystal...

In order to describe the second-order nonlinear response from the interface of two centrosynnnetric media, the material system may be divided into tlnee regions the interface and the two bulk media. The interface is defined to be the transitional zone where the material properties—such as the electronic structure or molecular orientation of adsorbates—or the electromagnetic fields differ appreciably from the two bulk media. For most systems, this region occurs over a length scale of only a few Angstroms. With respect to the optical radiation, we can thus treat the nonlinearity of the interface as localized to a sheet of polarization. Fonnally, we can describe this sheet by a nonlinear dipole moment per unit area, -P ", which is related to a second-order bulk polarization by hy P - lx, y,r) = y. Flere z is the surface nonnal direction, and the... 

Crockett R G M, Campbell A J and Ahmed F R 1990 Structure and molecular-orientation of tetramethoxy-tetraoctoxy phthalocyaninato-polysiloxane Langmuir-Blodgett-films Po/yme/ 31 602-8... 

The need for an overall and combined chemical structure and data search system became clear to us some time ago, and resulted in the decision to build CHIRBASE, a molecular-oriented factual database. The concept utilized in this database approach is related to the importance of molecular interactions in chiral recognition mechanisms. Solely a chemical information system permits the recognition of the molecular key fingerprints given by the new compound among thousands of fingerprints of known compounds available in a database. 

The formation of a fibrillar structure in TLCP blends makes the mechanical properties of this kind of composites similar to those of conventional fiber reinforced thermoplastics [11,26]. However, because the molecular orientation and fibrillation of TLCPs are generally flow-induced, the formation, distribution, and alignment of these droplets and fibers are considerably more processing-dependent. We do not know ... 

A characteristic feature of the structure of samples obtained under the conditions of molecular orientation is the presence of folded-chain crystals in addition to ECC. Kawai22 has emphasized that the process of crystallization from the melt under the conditions of molecular orientation can be regarded as a bicomponent crystallization in which, just as in the case of fibrous structures in the crystallization from solutions, the formation of crystals of the packet type (ECC) occurs in the initial stage followed by the crystallization with folding . 

In spite of the presence of ECC, the sample exhibiting a domain structure remains unoriented on the macroscopic level. Figure 3 c shows a great difference in the structures obtained, if molecular orientation exists and if hydrostatic compression is applied. Although the method of hydrostatic compression of the melt is of paramount importance from the scientific view point just for samples crystallized under pressure it was possible to prove unequivocally the existence of ECC), it does not allow a direct preparation of oriented samples of high strength (they are brittle and readily crumble to powder under minimum strain). However, the material obtained in this way can probably serve as a semi-finished product for further technological treatment that would improve its mechanical properties. 

Figure 11 shows that the molecular weight distribution in the melt (presence of short chains) can account for the coexistence of two types of crystals in the absence of molecular orientation or at a slight stretching of the melt. However, there is a purely thermodynamic reason for the appearance of this main structural feature of samples crystallized under conditions of molecular orientation, even at high degrees of orientation, when virtually the whole distribution function is displaced into the region of /S > /3cr. 

Structure and Properties of Systems Obtained Under Conditions of Molecular Orientation... 

Many papers deal with the crystallization of polymer melts and solutions under the conditions of molecular orientation achieved by the methods described above. Various physical methods have been used in these investigations electron microscopy, X-ray diffraction, birefringence, differential scanning calorimetry, etc. As a result, the properties of these systems have been described in detail and definite conclusions concerning their structure have been drawn (e.g.4 13 19,39,52)). 

In this review recent theoretical developments which enable quantitative measures of molecular orientation in polymers to be obtained from infra-red and Raman spectroscopy and nuclear magnetic resonance have been discussed in some detail. Although this is clearly a subject of some complexity, it has been possible to show that the systematic application of these techniques to polyethylene terephthalate and polytetramethylene terephthalate can provide unique information of considerable value. This information can be used on the one hand to gain an understanding of the mechanisms of deformation, and on the other to provide a structural understanding of physical properties, especially mechanical properties. 

From the foregoing it is clear that indentation anisotropy is a consequence of high molecular orientation within highly oriented fibrils and microfibrils coupled with a preferential local elastic recovery of these rigid structures. We wish to show next that the influence of crystal thickness on AMH is negligible. The latter quantity is independent on 1 and is only correlated to the number of tie molecules and inter-crystalline bridges of the oriented molecular network. 

It is intriguing that upon emersion the value of A0 changes up to about 0.3 V compared with the immersed state.41 This has been attributed42,51 to the different structure of the liquid interfacial layer in the two conditions. In particular, the air/solvent interface is missing at an emersed electrode because of the thinness of the solvent layer, across which the molecular orientation is probably dominated by the interaction with the metal surface. 

As the density of a gas increases, free rotation of the molecules is gradually transformed into rotational diffusion of the molecular orientation. After unfreezing , rotational motion in molecular crystals also transforms into rotational diffusion. Although a phenomenological description of rotational diffusion with the Debye theory [1] is universal, the gas-like and solid-like mechanisms are different in essence. In a dense gas the change of molecular orientation results from a sequence of short free rotations interrupted by collisions [2], In contrast, reorientation in solids results from jumps between various directions defined by a crystal structure, and in these orientational sites libration occurs during intervals between jumps. We consider these mechanisms to be competing models of molecular rotation in liquids. The only way to discriminate between them is to compare the theory with experiment, which is mainly spectroscopic. 

In some cases, chemical substituents can bring about unusual monotropic liquid crystalline phases which only exist upon heating or cooling. The diphenyl-diacetylenes are examples in this category [22]. Early theoretical connections between molecular electronic structure and orientational order... 

The factors Kn are elastic constants for the nematic phase and Icb is the Boltzmann constant. Therefore a combination of molecular electronic structure, orientational order and continuum elasticity are all involved in determining the flexoelectric polarisation. Polarisation can also be produced in the presence of an average gradient in the density of quadrupoles. This is... 

The response of liquid crystal molecular orientation to an electric field is another major characteristic utilised for many years in industrial applications [44] and more recently in studies of electrically-induced phase transitions [45]. The ability of the director to align along an external field again results from the electronic structure of the individual molecules. 

The interaction of complex liquid crystal molecules with realistic surfaces is an area which is currently unexplored using electronic structure methods though, as stated earlier, the problem of surface-induced control of molecular orientation remains at the forefront of liquid crystal device technology. This problem is currently at the limits of practical capability of the most powerful computer systems. However treatment of a single mesogenic molecule on a... 

The anisotropy of the liquid crystal phases also means that the orientational distribution function for the intermolecular vector is of value in characterising the structure of the phase [22]. The distribution is clearly a function of both the angle, made by the intermolecular vector with the director and the separation, r, between the two molecules [23]. However, a simpler way in which to investigate the distribution of the intermolecular vector is via the distance dependent order parameters Pl+(J") defined as the averages of the even Legendre polynomials, PL(cosj r)- As with the molecular orientational order parameters those of low rank namely Pj(r) and P (r), prove to be the most useful for investigating the phase structure [22]. 

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