Two novel terpyridine-based chromophores with D-A (D = donor, A = acceptor) structural model containing modified triphenylamine moiety (L1 and L2 ) have been conveniently synthesized via formylation and reduction in satisfactory yields, and fully characterized. The single crystals of them were obtained and determined by X-ray diffraction analysis. The relationships between structure and photophysical properties of the two chromophores were investigated both experimentally and theoretically. The measured maximum TPA cross-sections per molecular weight (δmax /MW) of the chromophores are 0.63 GM/(g mol) (L1) and 0.72 GM/(g mol) (L2), respectively, in DMF as a high polar solvent. The results indicate that the value of δmax/MW could be well tuned by the intramolecular charge transfer (ICT), which could be realized by introducing additional elecron-donor/acceptor groups.
For the reported chemical structures,the disordered fragments of the structure acting as hosts and guests are common and unmanageable for crystallographers.How to analyze and treat such disordered assemblies is an important task for crystallographers.It is often difficult for some researchers to refine the disordered structures,even to mechanically justify the refined consequence in the absence of expertise.Herein,some examples of disorder refinements selected from the literature,including the disordered assemblies of nitrate,perchlorate,alkyl,aromatic assemblies,and guest solvent molecules,are summarized and discussed to provide practical advice for investigating the disorders for crystallographic researchers and beginners.The refinement approach for these disordered assemblies is also discussed in detail,which is helpful for crystallographers.
