A series of 4-N,N-dimethylaminoaniline salicylaldehyde Schiff-base derivatives (DAS) were facilely prepared. They exhibit typical AIE properties with various fluorescence emissions and high fluorescence quantum yields in an aggregated state. DAS exhibit unique pH-dependent optical properties, which indicated their potential applications in pH sensing.

The anisotropic effects and short-range quantum effects are essential characters in the formation of halogen bonds. Since there are an array of applications of halogen bonds and much difficulty in modeling them in classical force fields, the current research reports solely the polarizable ellipsoidal force field (PEff) for halogen bonds. The anisotropic charge distribution was represented with the combination of a negative charged sphere and a positively charged ellipsoid. The polarization energy was incorporated by the induced dipole model. The resulting force field is "physically motivated," which includes separate, explicit terms to account for the electrostatic, repulsion/dispersion, and polarization interaction. Furthermore, it is largely compatible with existing, standard simulation packages. The fitted parameters are transferable and compatible with the general AMBER force field. This PEff model could correctly reproduces the potential energy surface of halogen bonds at MP2 level. Finally, the prediction of the halogen bond properties of human Cathepsin L (hcatL) has been found to be in excellent qualitative agreement with the cocrystal structures.

An aggregation-induced emission (AIE) molecule with reversible photochromic properties which can be served as a material for photo-patterning with erasable properties.

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