College of Materials and Chemical Engineering and Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, China Three Gorges University, Hubei, Yichang, 443002, PR China.
College of Materials and Chemical Engineering and Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, China Three Gorges University, Hubei, Yichang, 443002, PR China; State Key Laboratory of Coordination Chemistry, Nanjing University, Jiangsu, Nanjing, 210093, PR China.
Spectrochim Acta A Mol Biomol Spectrosc. 2020 Feb 15;227:117661. doi: 10.1016/j.saa.2019.117661. Epub 2019 Oct 17.
A conjugated N-confused porphyrin-dipyrrin system NCP-IN-X (X = H, Br, Cl, OMe, COOEt) has been reported via N-Confused tetraphenylporphyrin (NCTPP) as a π-enlarged pyrrole and substituted trimethylindole subunits in 75-82% yields by one pot. All the NCP-INs show red-shifted absorption and emission in the NIR range compared with NCTPP in a series nonpolar and polar solvents. Interesting, relative higher emission in DMF can be observed. The structures of dipyrrin-NCP conjugates are characterized by H-NMR and high resolution mass spectrum (HR-MS). Four frontier molecular orbital and simulated stick absorption spectra are calculated by DFT and TD-DFT calculation which is in good agreement with the experiments.
一种共轭的 N-混淆卟啉-二吡咯体系 NCP-IN-X（X=H、Br、Cl、OMe、COOEt）已通过 N-混淆四苯基卟啉（NCTPP）报告，以 75-82%的产率一锅法合成。所有的 NCP-IN 在一系列非极性和极性溶剂中与 NCTPP 相比，在近红外范围内显示出吸收和发射红移。有趣的是，在 DMF 中可以观察到相对较高的发射。二吡咯-NCP 缀合物的结构通过 H-NMR 和高分辨率质谱（HR-MS）进行了表征。通过 DFT 和 TD-DFT 计算计算了四个前线分子轨道和模拟棒状吸收光谱，与实验结果吻合较好。
