부산대학교 도서관

An approach towards new 2-(4-vinyl-2H-chromen-2-ylidene)malononitriles-derived chromophores was developed. The optical, solvatochromic, and electrochemical properties of the synthesized compounds were studied. The first hyperpolarizability (β) was calculated using M06-2x functional with 6–31+G* basis set. The synthesized compounds absorb at a wide spectral range, from 350 to 770 nm. Divinylthiophene-bridged compound showing the narrowest band gap (1.78 eV), strong solvatochromic effect, and the highest first hyperpolarizability value (β = 47805) was found to be the most promising of the synthesized chromophores.