dc.creator Fitzgerald, S. en_US dc.creator Pierce, C. en_US dc.creator Schloss, J. en_US dc.creator Thompson, B. en_US dc.creator Rowsell, J. en_US dc.date.accessioned 2012-07-09T18:55:32Z dc.date.available 2012-07-09T18:55:32Z dc.date.issued 2012 en_US dc.identifier 2012-MJ-11 en_US dc.identifier.uri http://hdl.handle.net/1811/52195 dc.description Author Institution: Department of Physics and Astronomy, Oberlin College; Oberlin, OH 44074; Department of Chemistry and Biochemistry, Oberlin College; Oberlin, OH 44074 en_US dc.description.abstract There is much interest in a class of materials known as Metal-Organic Frameworks (MOFs). While practical applications center on hydrogen storage and carbon sequestration, these highly porous, crystalline materials also provide an excellent opportunity for performing matrix isolation experiments. In this talk we will present data on MOF-74, a honey-comb structure consisting of metal-oxide units linked by aromatic rings. Infrared spectra show that for a series of different metal cations, Mn$^{2+}$, Fe$^{2+}$, Co$^{2+}$, Ni$^{2+}$, and Zn$^{2+}$ the vibrational modes of adsorbed CO$_{2}$ are all red shifted relative to the gas phase values. In contrast the $\nu_{3}$ mode of CO$_{2}$ adsorbed within the Mg version of MOF-74 is unique in showing a blue shift. It is accompanied by broader sidebands associated with librational or center of mass motion of the adsorbed CO$_{2}$. Spectra obtained below 100 K show the emergence of a second $\nu_{3}$ band indicating a further distortion of the CO$_{2}$ molecule. These results will be discussed in terms of the interaction mechanisms of the different metal cations and in particular the fact that the Mg version of MOF-74 has a very strong affinity for CO$_{2}$ with a binding enenergy of 47 kJ/mol, more than 5 kJ/mol greater than any other MOF. en_US dc.language.iso en en_US dc.publisher Ohio State University en_US dc.title VIBRATIONAL SHIFT OF ADSORBED CARBON DIOXIDE WITHIN A METAL-ORGANIC FRAMEWORK en_US dc.type Article en_US dc.type Image en_US dc.type Presentation en_US
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