In this chapter, the calculation of vibrational zero-point energies (ZPEs) of organosilicon compounds is reported. An empirical formula is used. This relationship was determined by relating vibrational zero-point energy to the nature and type of bonds forming the molecule. The calculated vibrational zero-point energies for several organosilicon derivatives belonging to different categories of compounds correlate well with the reported available values. In addition, the comparison of these results with the scaled values obtained using methods of quantum chemistry (AM1, ab initio, and by a similar empirical approach) indicates the reliability of our empirical model to reproduce vibrational zero-point energy of organosilicon compounds.
Part of the book: Modern Spectroscopic Techniques and Applications