Departamento de Química Física, Universidad del País Vasco-EHU, Apartado 644, 48080 Bilbao, Spain.
Phys Chem Chem Phys. 2011 Feb 28;13(8):3437-45. doi: 10.1039/c0cp01147a. Epub 2010 Dec 20.
The synthesis, photophysical and laser properties of a difluoro-boron-triaza-anthracene (BTAA) compound are analyzed in the present paper. The molecular structure of this dye is an anthracene-like core with N atoms at 4a, 9 and 10a positions where two of them (4a and 10a) are linked through a BF(2)-bridge group. This structure is reminiscent of aza-BODIPY dye with an s-indacene core, BODIPY being one of the most commonly used laser dye family in the Vis region. The main absorption and emission bands of the new dye are localized in the blue part of the Vis region of the electromagnetic radiation, a spectral region practically unexploited by the BODIPY chromophore. Moreover, the new dye presents a higher laser efficiency and photostability than other commercial laser dyes operating in the same spectral region. In order to look for new molecular structures with potential laser emission covering the whole Vis spectral region, the spectroscopic properties of other different chromophoric systems based on BF(2)-linking aromatic groups are theoretically simulated by quantum mechanical calculations.
本文分析了一种二氟硼三氮杂蒽（BTAA）化合物的合成、光物理和激光性质。该染料的分子结构类似于蒽核，在 4a、9 和 10a 位置上有 N 原子，其中两个（4a 和 10a）通过 BF(2)-桥基团连接。这种结构让人联想到具有 s-茚并核心的氮杂 BODIPY 染料，BODIPY 是可见光区域中最常用的激光染料家族之一。新染料的主要吸收和发射带位于电磁辐射可见光区域的蓝色部分，这是 BODIPY 生色团几乎未开发的光谱区域。此外，新染料的激光效率和光稳定性比在相同光谱区域内工作的其他商业激光染料更高。为了寻找具有潜在激光发射的新分子结构，涵盖整个可见光谱区域，通过量子力学计算对基于 BF(2)-连接芳基的其他不同生色团系统的光谱性质进行了理论模拟。
