In situ single-crystal synchrotron X-ray diffraction studies of biologically active gases in metal-organic frameworks

• Published in: Communications chemistry Vol. 6; no. 1; pp. 44 - 7
• Main Authors: Main, Russell M., Vornholt, Simon M., Rice, Cameron M., Elliott, Caroline, Russell, Samantha E., Kerr, Peter J., Warren, Mark R., Morris, Russell E.
• Format: Journal Article
• Language: English
• Published: London Nature Publishing Group UK 01.03.2023; Nature Publishing Group; Nature Portfolio
• Subjects: 639/301/299/1013; 639/638/298/921; Activated carbon; Adsorption; Binding; Carbon monoxide; Chemistry; Chemistry and Materials Science; Chemistry/Food Science; Dehydration; Diamonds; Light sources; Metal-organic frameworks; Nitric oxide; Radiation; Single crystals; Synchrotron radiation; Synchrotrons; X-ray diffraction
• ISSN: 2399-3669; 2399-3669
• DOI: 10.1038/s42004-023-00845-1

Metal-organic frameworks (MOFs) are well known for their ability to adsorb various gases. The use of MOFs for the storage and release of biologically active gases, particularly nitric oxide (NO) and carbon monoxide (CO), has been a subject of interest. To elucidate the binding mechanisms and geometry of these gases, an in situ single crystal X-ray diffraction (scXRD) study using synchrotron radiation at Diamond Light Source has been performed on a set of MOFs that display promising gas adsorption properties. NO and CO, were introduced into activated Ni-CPO-27 and the related Co-4,6-dihydroxyisophthalate (Co-4,6-dhip). Both MOFs show strong binding affinity towards CO and NO, however CO suffers more from competitive co-adsorption of water. Additionally, we show that morphology can play an important role in the ease of dehydration for these two systems. Metal–organic frameworks have demonstrated promise for the storage and release of biologically active gases. Here, an in situ single crystal X-ray diffraction study using synchrotron radiation elucidates the binding mechanisms and geometries of nitric oxide and carbon monoxide gases in activated frameworks Ni-CPO-27 and Co-4,6-dihydroxyisophthalate.