Vibrational spectroscopic study of poly(dimethylsiloxane)-ZnO nanocomposites |
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| Institution: | 1. University of Zagreb, Faculty of Electrical Engineering and Computing, Unska 3, 10000 Zagreb, Croatia;2. International Technology Center, 8100-120 Brownleigh Drive, Raleigh, NC 27617, United States;3. Ruđer Bošković Institute, Bijenička 54, Zagreb, Croatia;4. University of Zagreb, Faculty of Chemical Engineering and Technology, Marulićev trg 19, 10000 Zagreb, Croatia;1. School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191, PR China;2. School of Materials Science and Engineering, Shanxi University of Technology, Hanzhong 723000, PR China;1. Food Research and Development Centre, 3600 Casavant Blvd West, Saint-Hyacinthe, QC J2S 8E3, Canada;2. Laboratory for Physical Chemistry and Colloid Science, Wageningen University, Dreijenplein 6, 6703 HB Wageningen, Netherlands |
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| Abstract: | A series of poly(dimethylsiloxane)-zinc oxide (PDMS-ZnO) nanocomposites having different concentrations of ZnO nanoparticles (0, 1, 5, 10 and 20 wt%) have been prepared. Raman and FTIR-ATR spectroscopic analysis was performed in order to determine the interaction between the ZnO nanoparticles and PDMS polymer matrix. Density functional theory (DFT) using the (B3-LYP)/6-311++G(2df,2p) method was used to investigate the vibrational spectra of PDMS. A complete vibrational assignment is supported by the normal coordinate analysis, calculated Raman activities as well as IR intensities.The presence of ZnO nanoparticles in PDMS gives rise to significant differences in relative intensities of the characteristic vibrational bands with respect to the cross-linked polymer. The changes in relative intensities of Raman bands, as well as swelling measurements, were used to explain the effect of ZnO nanoparticles on the cross-linked structure of PDMS nanocomposites. It is established that ZnO nanoparticles influence the cross-linking density of the polymer matrix. |
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| Keywords: | Poly(dimethylsiloxane) ZnO nanoparticles Nanocomposite DFT Cross-linking |
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