Vibrační optická aktivita: experimentální zázemí a počítačové simulace

Abstrakt

Vibrational optical activity (VOA) such as vibrational circular dichroism and Raman optical activity comprises developing spectroscopic techniques providing additional information on molecules. The information depends on theoretical modeling of the spectra. The review deals with the physics of the phenomena, their advantages and problems in experiments and spectral interpretation, applications and simulation methods. Application potentials in large, hydrated and flexible systems are documented on insuline, lactamide and a recently discovered natural molecule, "SynoxA". VOA is able to afford unique structural information; however, better instruments as well as more accurate simulations are still desirable.