A comparative analysis of the electrophilicity of organic molecules between the computed IPs and EAs and the HOMO and LUMO energies

The electrophilicity index, ω, of a series of substituted ethylenes has been evaluated from the IP and the EA values computed at the B3LYP/aug-cc-PVTZ level. The electrophilicities are well correlated with those obtained from the HOMO and LUMO energies through the standard B3LYP/6-31G∗ basis set.