Systematic screening of DMOF-1 with NH2, NO2, Br and azobenzene functionalities for elucidation of carbon dioxide and nitrogen separation properties
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<strong>Publication:</strong> M. Xie. N. Prasetya and B. P. Ladewig, Systematic screening of DMOF-1 with NH2, NO2, Br and azobenzene functionalities for elucidation of carbon dioxide and nitrogen separation properties, Inorganic Chemistry Communications (2019). <strong>Preprint:</strong> M. Xie. N. Prasetya and B. P. Ladewig, Systematic screening of DMOF-1 with NH2, NO2, Br and azobenzene functionalities for elucidation of carbon dioxide and nitrogen separation properties, Inorganic Chemistry Communications (2019), https://doi.org/10.26434/chemrxiv.8862239.v1 Dataset supporting publication, including SEM images, optical microscope images, NMR spectra, data used in Figures, and full resolution figures as included in the manuscript. <strong>Abstract:</strong> In this study, dabco MOF-1 (DMOF-1) with four different functional groups (NH<sub>2</sub>, NO<sub>2</sub>, Br and azobenzene) has been successfully synthesized through systematic control of the synthesis condition of their parent framework. The functionalised DMOF-1 is characterized using various analytical techniques including PXRD, TGA and N<sub>2</sub> sorption. The effect of the various functional groups on the performance of the MOFs for post-combustion CO<sub>2</sub> capture is evaluated. DMOF-1s with polar functional groups are found to have better affinity with CO<sub>2</sub> compared with the parent framework as indicated by higher CO<sub>2</sub> heat of adsorption. However, imparting steric hindrance to the framework as in Azo-DMOF-1 enhances CO<sub>2</sub>/N<sub>2</sub> selectivity, potentially as a result of lower N2 affinity for the framework.



