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Rotatory Dispersion (rotatory + dispersion)
Kinds of Rotatory Dispersion Selected AbstractsInterpretation of the optical rotatory dispersion in telluriumJOURNAL OF APPLIED CRYSTALLOGRAPHY, Issue 1 2002Ivo Vy An interpretation of the most recent experimental data on the optical rotatory dispersion of tellurium is presented. The experimental data are approximated by theoretical equations which were derived using the model of three coupled oscillators. The applied mathematical method is based on the sum of least squares. The derived equations are also helpful when modelling the circular dichroism of tellurium and discussing the sense of the rotation of the linear polarized light with regard to the crystal structure. [source] Renaissance in chiroptical spectroscopic methods for molecular structure determinationTHE CHEMICAL RECORD, Issue 2 2007Prasad L. Polavarapu Abstract Two of the chiroptical spectroscopic methods, namely optical rotatory dispersion (ORD) and electronic circular dichroism (ECD), have been around for several decades. But their use in determining the absolute configuration and predominant conformation is gaining renewed interest with the availability of quantum mechanical methods for predicting ORD and ECD. Two other methods, namely vibrational circular dichroism (VCD) and vibrational Raman optical activity (VROA), are relatively new and offer convenient approaches for deducing the structural information in chiral molecules. With the availability of quantum mechanical programs for predicting VCD and VROA, these methods have attracted numerous new researchers to this area. This review summarizes the latest developments in these four areas and provides examples where more than one method has been used to confirm the information obtained from individual methods. © 2007 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 7: 125,136; 2007: Published online in Wiley InterScience (www.interscience.wiley.com) DOI 10.1002/tcr.20117 [source] Solvent Effect on Optical Rotation: A Case Study of Methyloxirane in WaterCHEMPHYSCHEM, Issue 12 2006Parag Mukhopadhyay Explicit solute,solvent interactions: MD simulations and TD-DFT are used to determine the solvent dependence of the optical rotatory dispersion (ORD) for methyloxirane in water (see figure). The inclusion of explicit solute,solvent interactions is essential to describe the influence of the solvent on the OR of the system and the MD simulations provide a suitable means to analyze and predict chiroptical solvation effects. [source] |