A QSPR study on optical limiting of organic compounds

The optical limiting performance of 23 structurally different organic compounds has been measured at the wavelength of 532 nm. Molecular orbital ab initio calculations were performed to generate molecular electronic variables that were applied in a quantitative structure–property relationship (QSPR) study. A model that predicts the optical limiting response was constructed by using a partial least square (PLS) analysis. Six variables that play a major role for the optical limiting ability of organic materials were identified.