Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol.246, 231-234, 1994
Ab-Initio and Semiempirical Mo Studies on Photochromic Molecules
A molecular orbital (MO) study on organic photochromic molecules was presented, where their optical properties such as absorption wavelengths and intensities were examined. The thermal stabilities of diarylethene and spironaphtoxazine were also investigated. Finaly, an unexpected dependence of quantum yield on the wavelength, in photochemical ring opening reaction of diarylethene, was studied by using a model system.