Elucidating CO₂ Chemisorption in Diamine-Appended Metal-Organic Frameworks.

ABSTRACT: The widespread deployment of carbon capture and sequestration as a climate change mitigation strategy could be facilitated by the development of more energy-efficient adsorbents. Diamine-appended metal-organic frameworks of the type diamine-M₂(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn; dobpdc^4- = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate) have shown promise for carbon-capture applications, although questions remain regarding the molecular mechanisms of CO₂ uptake in these materials. Here we leverage the crystallinity and tunability of this class of frameworks to perform a comprehensive study of CO₂ chemisorption. Using multinuclear nuclear magnetic resonance (NMR) spectroscopy experiments and van-der-Waals-corrected density functional theory (DFT) calcul

SUBMITTER: Forse AC 

PROVIDER: S-EPMC8232558 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature