Liquid crystals, electronic chemicals

The maintenance of a connection to experiment is essential in that reliability is only measurable against experimental results. However, in practice, the computational cost of the most reliable conventional quantum chemical methods has tended to preclude their application to the large, low-symmetry molecules which form liquid crystals. There have however, been several recent steps forward in this area and here we will review some of these newest developments in predictive computer simulation of intramolecular properties of liquid crystals. In the next section we begin with a brief overview of important molecular properties which are the focus of much current computational effort and highlight some specific examples of cases where the molecular electronic origin of macroscopic properties is well established. 

Schiff base org chem RR C=NR" Any of a class of derivatives of the condensation of aldehydes or ketones with primary amines colorless crystals, weakly basic hydrolyzed by water and strong acids to form carbonyl compounds and amines used as chemical intermediates and perfume bases, in dyes and rubber accelerators, and in liquid crystals for electronics, shif, bas ... 

Electronic chemicals (see Section 11.4) provide another illustrative example of the difference between fine and specialty chemicals Merck KGaA produces a range of individual fine chemicals as active substances for liqnid crystals in a modern multipurpose plant in Darmstadt, Germany. An example is (trans,trans)-A-[difluoromethoxy)-3,5-difluorophenyl]-4 -propyl-l,l -bicyclohexyl. Merck ships the active ingredients to its secondary plants in Japan, Sonth Korea, and Taiwan, where they are compounded into liquid crystal formulations. These specialties have to comply with stringent use-related specifications (electrical and color properties, etc.) of the Asian producers of consumer electronics such as cellular phones, DVD players, and flat-screen TV sets. 

Electronic chemicals Liquid crystals Licristal Trifluoromethoxyphenyl derivatives (e.g.) Merck KGaA, Germany... 

Switching systems based on photochromic behavior,I29 43,45 77-100 optical control of chirality,175 76 1011 fluorescence,[102-108] intersystem crossing,[109-113] electro-chemically and photochemical induced changes in liquid crystals,l114-119 thin films,170,120-1291 and membranes,[130,131] and photoinduced electron and energy transfer1132-1501 have been synthesized and studied. The fastest of these processes are intramolecular and intermolecular electron and energy transfer. This chapter details research in the development and applications of molecular switches based on these processes. 

Besides NQR spectroscopy and the study of nuclear quadrupole interaction effects in broad-line NMR spectroscopy, paramagnetic electron resonance 6°1, Mossbauer spectroscopy, and the study of perturbed angular correlation of y-rays, are suitable methods for studying nuclear quadrupole interactions in solids. Indirect methods are also available for acquiring information about the nuclear quadrupole couplinjg constant from the liquid state (particularly NMR spectroscopy in liquids and in liquid crystals in some cases gives information about this constant). By microwave spectroscopy, the nuclear quadrupole interaction may be studied in the gaseous phase (see the paper by Zeil). We shall deal here only with the aspect of NQR spectroscopy in solids since this method has the broadest applicability to chemical problems in comparison with the other methods mentioned. 

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