The effects of substituents on the ground- and excited-state dipole moments, optical spectra, and second-order hyperpolarizability (β) in mono- and disubstituted stilbenes were studied. It was found that ground-state dipole moments as well as the charge on the 4′-position in 4-substituted stilbenes correlate with ∑σp. For optical spectra (λmax and oscillator strength), excited-state dipole moments, and βzzz, a correlation with both ∑σp and ∑σ+/- was found.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry