Metal-organic frameworks, with their permanent microporosity, ability to self-assemble and versatile chemical composition, are promising materials for several selective adsorption-based applications ranging from carbon sequestration to catalysis. The research presented in this paper explores the fundamental molecular level interactions between the host framework and the guest molecules contained within the pores using multiple in situ spectroscopy methods. Specifically, spectroscopic studies of the activation and CO2 gas adsorption processes in a Cu-based framework, [Cu3(TDPAT)(H2O)3]·10H2O·5DMA (TDPAT=2,4,6-tris(3,5-dicarboxylphenylamino)-1,3,5-triazine) will be presented. The remarkable selectivity of this framework for CO2 is attributed to the high density of coordinatively unsaturated metal nodes and amine linker functionality that both serve as gas binding sites. Spectroscopic evidence for these binding interactions as well as the concomitant electronic and molecular level structure changes of the host framework and CO2 guest is derived from a combination of in situ UV-vis diffuse reflectance, X-ray absorption and Raman spectroscopy studies. The results of these studies will be presented and their implications in terms of CO2 adsorption-based applications will be discussed.

In situ spectroscopy studies of CO2 adsorption in a dually functionalized microporous metal-organic framework

249th National Meeting (2015)

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In situ spectroscopy studies of CO2 adsorption in a dually functionalized microporous metal-organic framework<br />

In situ spectroscopy studies of CO₂ adsorption in a dually functionalized microporous metal-organic framework<br />