Conformational analysis of sulfate species on Ag/Al2O3 by means of theoretical and experimental vibration spectra

The Journal of Physical Chemistry. B
Qiang WuHong He

Abstract

The formation and configuration of sulfate species on Ag/Al2O3 were studied by means of in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and density functional theory (DFT) calculations. The comparison between theoretical and experimental vibration spectra enable us to draw the following conclusions: Bidentate sulfate species rather than tridentate sulfate species are the predominant surface species on Ag/Al2O3. Moreover, both bidentate and tridentate sulfate species may coexist on the catalyst surface at a lower coverage. The accumulation of surface sulfate species could well explain the blue shift of the sulfate species in IR spectra. In addition, the in situ DRIFTS could distinguish between the sulfate species that linked to Al site and Ag site, which was well supported by temperature-programmed desorption (TPD) results.

Citations

Sep 25, 2010·Journal of Hazardous Materials·Ling ZhaoGuohua Chen
Dec 10, 2015·Physical Chemistry Chemical Physics : PCCP·Weiwei YangYujing Mu
Jun 27, 2008·The Journal of Physical Chemistry. a·Qingxin MaHong He
Apr 30, 2008·Environmental Science & Technology·Qingyun ChangJiuhui Qut
Jul 12, 2018·The Journal of Physical Chemistry. a·Weiwei YangHong He

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