Raghava Tanya, Chattopadhyay Anjan, Bhavana Purushothaman, Banerjee Subhadeep
Department of Chemistry, BITS Pilani K.K. Birla Goa Campus, NH 17B, Bypass Road, Zuarinagar, Goa, 403726, India.
Chem Asian J. 2023 Apr 17;18(8):e202201314. doi: 10.1002/asia.202201314. Epub 2023 Mar 9.
We have synthesized a small library of blue-to-green emissive single benzene-based fluorophores (SBFs) in a short synthetic sequence. The molecules exhibit good Stokes shift in the range of 60-110 nm and select examples also possess very high fluorescence quantum yields of up to 87%. Theoretical investigations into the ground state and excited state geometries of many of these compounds reveal that good degree of planarization between the electron donor secondary amines and electron accepting benzodinitrile units can be achieved under certain solvatochromic conditions, giving rise to the strongly fluorescent behavior. On the other hand, the excited state geometry which lacks co-planarity of the donor amine and the single benzene moiety can open up a non-fluorescent channel. Additionally, in molecules with a dinitrobenzene acceptor, the perpendicular nitro moieties render the molecules completely non-emissive.
我们通过简短的合成步骤合成了一个基于单苯的蓝绿色发射荧光团（SBF）的小型文库。这些分子在60 - 110 nm范围内表现出良好的斯托克斯位移，部分示例还具有高达87%的非常高的荧光量子产率。对许多这些化合物的基态和激发态几何结构的理论研究表明，在某些溶剂化显色条件下，电子供体仲胺和电子受体苯二腈单元之间可以实现良好程度的平面化，从而产生强荧光行为。另一方面，供体胺和单苯部分缺乏共平面性的激发态几何结构会打开一个非荧光通道。此外，在具有二硝基苯受体的分子中，垂直的硝基部分使分子完全不发光。
