Thin films of fluorinated 3d-metal phthalocyanines as chemical sensors of ammonia: An optical spectroscopy study
Thin films of fluorinated 3d-metal phthalocyanines as chemical sensors of ammonia: An optical spectroscopy study
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DOI：
10.1016/j.snb.2015.12.079
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发表时间：
2016-05-01
影响因子：
8.4
通讯作者：
Kiselev, Vitaly G.
中科院分区：
文献类型：
--
作者：
Basova, Tamara V.;Mikhaleva, Natalia S.;Kiselev, Vitaly G.
利用互补实验（即，表面等离子体共振、表面等离子体共振和红外吸收光谱）沿着理论（密度泛函理论计算，DFT）技术。SPR测量揭示了由NH3的吸附引起的MPcF 16膜的厚度和光学参数（折射率和消光系数）的变化。所研究的MPcF 16物种表现出以下顺序的传感器响应：ZnPcF 16> CoPcF 16> CuPcF 16> NiPcF 16。在DFT计算的（B3 LYP/6-311++G（2df，p））结合能、实验测量的所选IR带的位移和光学传感器响应之间发现了良好的相关性。除此之外，我们还对所研究的含氟3d-金属酞菁的振动光谱（IR和拉曼）中的所有强峰进行了详细的归属。(C)2015 Elsevier B. V.版权所有。
A comparative study of the sensor response toward gaseous ammonia of hexadecafluorinated 3d-metal phthalocyanine (MPcF16, M=Cu(II), Co(II), Zn(II), Ni(II)) thin films was performed using complementary experimental (viz., surface plasmon resonance, SPR, and IR absorption spectroscopy) along with theoretical (density functional theory calculations, DFT) techniques. SPR measurements revealed changes of both thickness and optical parameters (refraction indices and extinction coefficients) of the MPcF16 films caused by adsorption of NH3. The MPcF16 species studied exhibited the following order of sensor response: ZnPcF16 > CoPcF16 > CuPcF16 > NiPcF16. A good correlation was found between the DFT calculated (B3LYP/6-311++G(2df,p)) binding energies, experimentally measured shift of the selected IR bands, and the optical sensor response. Apart from this, we performed a detailed assignment of all intense bands in the vibrational spectra (IR and Raman) of fluorinated 3d-metal phthalocyanines studied. (C) 2015 Elsevier B.V. All rights reserved.