Department of Dyestuff Technology, Institute of Chemical Technology, (Formerly UDCT), Nathalal Parekh Marg, Matunga, Mumbai 400019, India.
Centre for Molecular and Biophysics Research, Department of Physics, Mar Ivanios College, Thiruvananthapuram, Kerala 695015, India.
Spectrochim Acta A Mol Biomol Spectrosc. 2019 Feb 15;209:126-140. doi: 10.1016/j.saa.2018.10.040. Epub 2018 Oct 23.
Hybrid meso BODIPY dyes are synthesized and their linear and non-linear optical properties are studied. Time-resolved fluorescence lifetime decay is found to be identical for all dyes irrespective of meso substituents. The Z-scan experiment performed to calculate the nonlinear absorption coefficient (β) and third-order nonlinear susceptibility (χ). Global hybrid (B3LYP and BHHLYP) and range-separated hybrid (CAM-B3LYP) functional with the basis set 6-311++G(d,p) was employed to determine the theoretical linear and non-linear optical properties. The computed β value of all the three dyes was found to be superior to that of urea (βo = 0.371 × 10 esu). Introduction of meso substituent directly affects the polarizability and second-order hyperpolarizability of the dyes. Thermal and reorientational effect of the investigated NLOphoric dyes were studied.
杂化中位 BODIPY 染料被合成，并研究了它们的线性和非线性光学性质。发现无论中位取代基如何，所有染料的时间分辨荧光寿命衰减都是相同的。进行 Z 扫描实验以计算非线性吸收系数 (β) 和三阶非线性极化率 (χ)。使用基组 6-311++G(d,p) 进行全局杂化 (B3LYP 和 BHHLYP) 和范围分离杂化 (CAM-B3LYP) 函数来确定理论线性和非线性光学性质。发现所有三种染料的 β 值都优于脲 (βo = 0.371 × 10 esu)。中位取代基的引入直接影响染料的极化率和二阶超极化率。研究了所研究的 NLOphoric 染料的热和重定向效应。
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