First hyperpolarizability of benzoate anions and esters

Abstract

The molecular first hyperpolarizability (β) of a series of benzoate anions and their esters were measured by the hyper-Rayleigh scattering (HRS) in methanol solution. The effect of the presence of methanolic solvation on their β values were calculated and clearly correlates to the experimental β. The static β values of some of the benzoate anions were evaluated and found to be close to those of pNA irrespective of the cutoff wavelengths being shorter than 400 nm, and the absorption maximum shorter than those of corresponding esters. These new anions would be promising starting compounds for ionic crystalline second-harmonic generation (SHG) material of diode laser.