Thin films of fluorinated 3d-metal phthalocyanines as chemical sensors of ammonia: An optical spectroscopy study

SENSORS AND ACTUATORS B-CHEMICAL

卷:227

Article

Basova, Tamara V.^1,2  Mikhaleva, Natalia S.¹  Hassan, Aseel K.³  Kiselev, Vitaly G.^2,4 

[1] SB RAS, Nikolaev Inst Inorgan Chem, 3 Lavrentieva Ave, Novosibirsk 630090, Russia

[2] Novosibirsk State Univ, 2 Pirogova Str, Novosibirsk 630090, Russia

[3] Sheffield Hallam Univ, Mat & Engn Res Inst, Fac Arts Comp Engn & Sci, Furnival Bldg,153 Arundel St, Sheffield S1 2NU, S Yorkshire, England

[4] SB RAS, Inst Chem Kinet & Combust, 3 Inst Str, Novosibirsk 630090, Russia

关键词: Hexadecafluorinated phthalocyanines;    Optical sensors;    SPR;    Ammonia detection;    Vibrational Spectra;    DFT;   

DOI  :  10.1016/j.snb.2015.12.079

来源: Elsevier

【 摘 要 】

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.

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