Vibrational circular dichroism solvent effects

Kim J, Kapitan J, Lakhani A, Bouf P, KeiderUng TA (2008) Tight (l-turns in peptides. DFT-based study of infrared absorption and vibrational circular dichroism for various conformers including solvent effects. Theor Chem Acc 119 81-97... 

There have been numerous applications of continuum models to equilibria and reactions in solution surveys of these and extensive listings are provided by Cramer and Truhlar.16 Other studies have focused upon the effects of solvents upon solute molecular properties, such as electronic and vibrational spectra,16 dipole moments, nuclear quadrupole and spin-spin coupling constants and circular dichroism.12... 

There are many more solvent effects on spectroscopic quantities, that cannot be even briefly discussed here, and more specialized works on solvent effects should be consulted. These solvent effects include effects on the line shape and particularly line width of the nuclear magnetic resonance signals and their spin-spin coupling constants, solvent effects on electron spin resonance (ESR) spectra, on circular dichroism (CD) and optical rotatory dispersion (ORD), on vibrational line shapes in both the infrared and the UV/visible spectral ranges, among others. 

The development of the MPE method opened an avenue to the theoretical analysis of solvent effects on chemical and physico-chemical properties. The method was intensively applied to spectroscopical properties in the 1980s [28] including NMR nuclear quadrupole coupling [29,30], spin-spin coupling constants [31], IR spectra [28,32-34] vibrational polarizabilities [35], as well as UV-V and circular dichroism spectra [36-38],... 

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