PHYS 13 |
| The majority of experimental investigations of chiroptical properties are conducted on liquid samples. It is therefore important to develop efficient protocols for accurately and reliably modeling the effects of a surrounding solvent in order to allow for a direct comparison of experimental data with theoretically calculated results. Ideally, these theoretical models should also be able to provide insight into the mechanistic origins of the solvent effects, in order to allow for an improved understanding of the origins on chiroptical responses of liquid samples. In this talk I will briefly review different approaches for calculating and modeling solvent effects on chiroptical properties. The importance of the solvent for chiroptical properties will be illustrated using recent results obtained for different chiroptical properties such as optical rotation, magnetic circular dichroism, magnetochiral birefringence, Jones birefringence and vibrational Raman optical activity. The primary focus will be on illustrating the strengths and weaknesses of different solvent models, and to highlight the importance of solvent effects for different chiroptical properties. |
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Implications and Applications of Chirality in Physical Chemistry
8:00 AM-12:00 PM, Sunday, March 25, 2007 McCormick Place South -- Room S401A, Level 4, Oral
Division of Physical Chemistry |