Computed Properties of C5H3Br2NIn 2019 ,《Extended π-conjugated quinazolinone derivatives with enhanced third-order nonlinear optical response》 appeared in Dyes and Pigments. The author of the article were Jia, Jianhong; Zhang, Jiuming; Zhou, Chunsong; Zheng, Mingming; Feng, Dong; Liang, Guanqiu; She, Yuanbin. The article conveys some information:
Quinazolinone derivatives were designed and synthesized based to the structure of donor-π-acceptor-π-donor (D-π-A-π-D). To obtain materials with good third-order nonlinear optical response that the authors have introduced some electron-donating groups such as triarylamine, cumene, and N,N-dimethylaniline into the 8- or 2,8- position of the quinazolinone. Compared with the parent QZ-1, the target compounds showed a significant red shift. Electrochem. data and theor. calculation showed that the introduction of the donor group that extended the conjugation length of the mol. and reduced the HOMO/LOMO band gap which promoted the intramol. charge transfer (ICT). Z-scan results demonstrated that as the electron-donating ability of the donor group increased, the synthetic materials exhibit stronger nonlinear optical response. Among them, QZB-1 incorporating with 2 triarylamine groups has a γ value of 34.616 × 10-32 esu, which is up to 38 times of the parent structure. The results of this study have guiding significance for the mol. design of nonlinear optical materials. The results came from multiple reactions, including the reaction of 2,5-Dibromopyridine(cas: 624-28-2Computed Properties of C5H3Br2N)
2,5-Dibromopyridine(cas: 624-28-2) belongs to pyridine. Pyridine and pyridine-derived structures are privileged pharmacophores in medicinal chemistry and an essential functionality for organic chemists. As the prototypical π-deficient heterocycle, pyridine illustrates distinctive chemistry as both substrate and reagent. Computed Properties of C5H3Br2N