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Experimental (FT-IR) and theoretical (DFT) studies on the adsorption behavior of p-nitroaniline (PNA) on gold nanoparticales

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Abstract

This paper reports the studies on the adsorption behavior of p-nitroaniline (PNA) on gold nanoparticales by experiment (FT-IR) and theory (DFT). On dried filter paper coated with gold nanoparticles and in gold aqueous colloids, surface-enhanced Raman scattering (SERS) spectra of p-nitroaniline (PNA) are studied by FT-IR excitation. The Raman frequencies of these two models for the p-nitroaniline (PNA) molecules on different substrate using DFT-B3PW91 with lanl2dz are calculated. Here it is demonstrated the calculated Raman frequencies are in good agreement with experimental values. Experimental (FT-IR) and theoretical (DFT) studies indicate that the adsorption behaviors of PNA molecules are different on these two substrates: in gold aqueous colloids, PNA molecules are adsorbed through the nitro group; while on the gold-coated filter paper, they are titled and there is a certain angle between the benzene rings and the surfaces of gold nanoparticles.

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Acknowledgements

The authors are grateful for the support to this research by the National Natural Science Foundation of China and the National Natural Science Foundation of Beijing.

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  1. Beijing Key Lab of Nano-Photonics and Nano-Structure, Department of Physics, Capital Normal University, Beijing, 100037, People’s Republic of China

    Wenqiang Ma & Yan Fang

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  1. Wenqiang Ma
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  2. Yan Fang
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Correspondence to Yan Fang.

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Ma, W., Fang, Y. Experimental (FT-IR) and theoretical (DFT) studies on the adsorption behavior of p-nitroaniline (PNA) on gold nanoparticales. J Nanopart Res 8, 761–767 (2006). https://doi.org/10.1007/s11051-005-9059-0

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  • DOI: https://doi.org/10.1007/s11051-005-9059-0

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