New Conjugated Organic Systems With Large Vibrational Polarizabilities

摘要

The calculation of vibrational polarizabilities has been, in the last few years, the subject of activernresearch among several groups.rnOur approach is based on a very simple semiclassical model which relates directly vibrationalrnpolarizabilities to spectroscopic observables, namely frequencies and intensities, which can be eitherrncalculated with quantum chemical programs or experimentally measured.