화학공학소재연구정보센터
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol.345, 413-418, 2000
Propagator calculations of electronic spectra of photochromic spirooxazines
Theoretical investigations were carried out on a series of spirooxazines which are known to exhibit photochromism. The calculational results obtained using polarization-propagator based ab-initio methods give fairly good qualitative predictions of the absorption maxima for this series of spirooxazines, however, the predicted shifts of the absorption maximum down the series is in the opposite direction or the experimental measurements. This is discussed.