Nonlinear optical properties molecules

Ah initio methods are applicable to the widest variety of property calculations. Many typical organic molecules can now be modeled with ah initio methods, such as Flartree-Fock, density functional theory, and Moller Plesset perturbation theory. Organic molecule calculations are made easier by the fact that most organic molecules have singlet spin ground states. Organics are the systems for which sophisticated properties, such as NMR chemical shifts and nonlinear optical properties, can be calculated most accurately. 

Chemla DS, Zyss J (1987) Nonlinear optical properties of organic molecules and crystals, vol. 1. Academic Press, New York... 

The results of this research combined with the growing literature on structure-property relations in organic materials is moving us closer to the ultimate goal of developing a predictive capability for the nonlinear optical properties of molecules. 

The asymmetrical D-ji-A dyes, often referred to as push-pull polyenes, are an additional class of cyanine-like molecules of interest. Due to their dipolar nature, the linear and nonlinear optical properties of this series of dyes can be strongly influenced by solvent polarity [84]. The structures of a series of such dyes (G19,... 

The discussion in this chapter is limited to cyanine-like NIR conjugated molecules, and further, is limited to discussing their two-photon absorption spectra with little emphasis on their excited state absorption properties. In principle, if the quantum mechanical states are known, the ultrafast nonlinear refraction may also be determined, but that is outside the scope of this chapter. The extent to which the results discussed here can be transferred to describe the nonlinear optical properties of other classes of molecules is debatable, but there are certain results that are clear. Designing molecules with large transition dipole moments that take advantage of intermediate state resonance and double resonance enhancements are definitely important approaches to obtain large two-photon absorption cross sections. 

Chemla, D. S. Zyss, J., Eds. Nonlinear Optical Properties of Organic Molecules and Crystals, Academic Press Orlando, FL, 1987, Vols. 1 and 2. 

Perry, J. W. Nonlinear Optical Properties of Molecules and Materials. In Materials for Nonlinear Optics Chemical Perspectives, Marder, S. R. Sohn, J. D. Stucky, G. D., Eds. ACS Symposium Series 455 American Chemical Society Washington, DC, 1991, pp 67-88. 

Conjugated polyenes exhibit large linear and nonlinear optical properties due to the mobility of electrons in extended TT-orbital systems. Hence, this is another reason for the growing interest shown in these molecules in recent years2,79-89. 

Binaphthyl molecules (chiral 2,2/-dihydroxy-l,T-binaphthyl) have been studied by Hicks et al., who reported the first experimental observation of CD-SHG on surfaces.4,29,43 In this section, we investigate the nonlinear optical properties of a chiral 1,1-binaphthyl-based helical polymer. 

Hales JM (2004) Chemical Structure-Nonlinear Optical Property Relationships for A Series of Two-Photon Absorbing Fluorene Molecules. CREOL and School of Optics, University of Central Florida, Orlando, PhD dissertation... 

A more comprehensive discussion of the theoretical background can be found in the first part of this review.1 This necessarily more abbreviated account focuses on those aspects relevant to third-order properties. As discussed in the first part,1 a convenient way to describe the nonlinear optical properties of organic molecules is to consider the effect on the molecular dipole moment p of an external electric field ... 

This paper is a tutorial overview of the techniques used to characterize the nonlinear optical properties of bulk materials and molecules. Methods that are commonly used for characterization of second- and third-order nonlinear optical properties are covered. Several techniques are described briefly and then followed by a more detailed discussion of the determination of molecular hyperpolarizabilities using third harmonic generation. 

One purpose of this tutorial paper on optical characterization is to provide a brief introduction for chemists to the concepts and methods involved in studies of the nonlinear optical properties of molecules and materials. The intent is to familiarize chemists with the range of commonly used techniques and their physical basis. An attempt is made to provide some background on macroscopic nonlinear optics, relating to what is actually measured, and the connection to molecular nonlinear optical properties. This paper is not intended to be a detailed or comprehensive review. The reader is referred to introductory (1, 2) and advanced (3-6) texts on nonlinear optics for more detailed or complete coverage of the subject. 

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