Vibrational Zero-Point Energies of Iodo Compounds
Zero-point energy
Empirical ZPE
Iodo compounds.
In this study, the contribution of the bond C–I has been derived and incorporated in empirical formula to calculate zero-point energies (ZPE) of Iodo compounds. The calculated ZPE for 38 molecules containing this bond correlate well with experimental values. The comparison of these results with semiempirical (AM1) ZPE appears very satisfactory