TABLE 1

HSAB parameters for unsaturated aldehydes

Softness (σ) and electrophilicity (ω) for the selected compounds were calculated as described in Materials and Methods. Nonaldehydes N-acetyl-p-benzoquinoimine (NAPQI) and acrylamide are included for comparative purposes.

ElectrophileStructureSoftness (σ × 103 ev−1)Electrophilicity (ω, ev)
NAPQIEmbedded Image4996.83
AcroleinEmbedded Image3713.82
HNEEmbedded Image3773.80
CrotonaldehydeEmbedded Image3673.56
MalondialdehydeEmbedded Image3843.39
AcrylamideEmbedded Image3152.62