Fundamental Aspects of H2S Adsorption on CPO-27-Ni

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• 作者：Sachin Chavan ; Francesca Bonino ; Loredana Valenzano ; Bartolomeo Civalleri ; Carlo Lamberti ; Nadia Acerbi ; Jasmina H. Cavka ; Matthias Leistner ; Silvia Bordiga
• 刊名：The Journal of Physical Chemistry C
• 出版年：2013
• 出版时间：August 1, 2013
• 年：2013
• 卷：117
• 期：30
• 页码：15615-15622
• 全文大小：715K
• 年卷期：v.117,no.30(August 1, 2013)
• ISSN：1932-7455

文摘

Adsorption of H₂S on the Ni₂(dhtp)(H₂O)₂路8H₂O metal鈥搊rganic framework (known as CPO-27-Ni or MOF-74-Ni) is characterized by in situ powder X-ray diffraction (PXRD), Fourier transform infrared (FTIR), Raman, and UV鈥搗isible spectroscopy) and by first-principles periodic boundary conditions calculations. PXRD results show very high stability of CPO-27-Ni framework in the presence of H₂S. Nevertheless, as evidenced by change in color of the sample from pale yellow to dark green, the adsorption of H₂S strongly affects the coordination of Ni sites. FTIR results show the reversible molecular adsorption of H₂S. Experimental and computed energies of interaction reveal good agreement. Quantitative data considering energetic aspects (calorimetric measurements) are also included. This work highlights the fundamentals of H₂S adsorption onto the CPO-27-Ni framework.