Further application of dual substituent parameter and dual substituent parameter–non-linear resonance methods in modelling 13C substituent chemical shifts in β-substituted styrenes

Abstract

Dual substituent parameter and dual substituent parameter–non-linear resonances analysis have been successfully applied to model the long-range substituent effect on ¹³C substituent chemical shifts (SCS) in eight series of β-substituted styrenes, each carrying a nitrile group in the β-position. Different blends of polar and mesomeric effects at various sites were successfully accounted for.