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Second-Order Optical Nonlinearity of Two 1,3,4-Oxadiazole Derivatives: an Experimental and Theoretical Study

OPTICAL MATERIALS(2023)

Univ Fed Pernambuco | Univ Fed Alagoas

Cited 3|Views12
Abstract
Measurements and theoretical modeling of the second-order optical nonlinearity of 2-(4-(dodecyloxy)phenyl)-5-(pyridin-3-yl)-1,3,4-oxadiazole (Oxa-4-Py) and 2-(4-(dodecyloxy)phenyl)-5-(4-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)phenyl)-1,3,4-oxadiazole (DiOxaBn-2-Tio) are reported here. The hyper-Rayleigh scattering technique was applied to measure the dynamic first hyperpolarizability, βexpλ=1064, of the samples. The excitation source was a Nd:YAG laser operating at 1064 nm, 6 ns and 10 Hz, and a two-level approximation was applied to estimate the static first hyperpolarizability, βexpλ=0, of the samples. The obtained values for βexpλ=1064 were 173×10−30 esu (Oxa-4-Py) and 226×10−30 esu (DiOxaBn-2-Tio), and the calculated values for static first hyperpolarizability, βexpλ=0 were 106×10−30 esu (Oxa-4-Py) and 126×10−30 esu (DiOxaBn-2-Tio). The βexpλ=1064 value determined for the DiOxaBn-2-Tio is among the largest experimental values reported so far for a 1,3,4-oxadiazole derivative. The calculations based on a density functional method confirmed the trend of the βexpλ=1064 values among the samples, i.e. the first hyperpolarizability of DiOxaBn-2-Tio is approximately 30% larger than βexpλ=1064 for Oxa-4-Py.
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Key words
Oxadiazole molecules,Incoherent second harmonic generation,Hyper Rayleigh scattering,First hyperpolarizability
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Alexander Williamson
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要点】:本文研究了两种1,3,4-恶唑衍生物的二阶光学非线性,通过实验测量和理论计算确认了其动态和静态第一超极化率,发现DiOxaBn-2-Tio的二阶光学非线性在同类化合物中表现突出。

方法】:采用超瑞利散射技术测量了样品的动态第一超极化率,并使用二能级近似估计静态第一超极化率,同时利用密度泛函理论进行理论计算。

实验】:通过Nd:YAG激光器在1064 nm波长、6 ns脉冲宽度和10 Hz重复频率下进行实验,测量得到Oxa-4-Py和DiOxaBn-2-Tio的动态第一超极化率分别为173×10−30 esu和226×10−30 esu,静态第一超极化率分别为106×10−30 esu和126×10−30 esu。实验数据集未在文本中明确提及。