Li Xiaochuan, Shi Ruijuan, Jin Yingchun, Lou Yan, Ge Qingshan, Li Mengmeng, Kim Hyungjoo, Son Young-A
J Nanosci Nanotechnol. 2014 Oct;14(10):8033-7. doi: 10.1166/jnn.2014.9397.
Double build-in chromophores with naphthalimide and bisindolylmaleimide incorporating to one molecule were synthesized efficiently and characterized fully. Its spectral properties were investigated. Effective intramolecular energy transfer together with the strong emission in solution and solid state were discussed in terms of its electronic structures. Optimized structure and frontier molecular orbital were calculated based on D3(mol) platform. Obviously electron delocalization before and after excitation was observed according to the molecular orbital calculation, which corresponds to the mechanism of excitation energy transfer through space occurred in the donor-linker-acceptor molecular system. The opto-physical properties of the dye indicated potential application of electro-optical materials.
高效合成并全面表征了一种将萘酰亚胺和双吲哚基马来酰亚胺两种生色团结合在一个分子中的化合物。研究了其光谱性质。从电子结构方面讨论了有效的分子内能量转移以及在溶液和固态中的强发射。基于D3(mol)平台计算了优化结构和前沿分子轨道。根据分子轨道计算,观察到激发前后明显的电子离域,这与供体-连接体-受体分子体系中通过空间发生的激发能量转移机制相对应。该染料的光物理性质表明其在电光材料方面具有潜在应用。