title: Exceptional gravimetric and volumetric CO2 uptake in a palladated NbO-type MOF utilizing cooperative acidic and basic, metal-CO2 interactions.
abstract: A novel NbO-type MOF is reported based on a palladated organic linker, showing a remarkable gravimetric and volumetric CO2 uptake, reaching 201.8 cm(3) g(-1) (9.0 mmol g(-1), 39.7 wt%) and 187.8 cm(3) cm(-3) at 273 K and 1 bar, respectively. Accurate theoretical calculations revealed that the exceptional CO2 uptake is due to the combination of Lewis base Pd(ii)-CO2 (24.3 kJ mol(-1)) and Lewis acid Cu(ii)-CO2 (30.3 kJ mol(-1)) interactions, as well as synergistic pore size effects.
authors: Department of Chemistry University of Crete, Voutes, Heraklion, 71003, Greece. ptrikal@uoc.gr.
authors: I
authors: I
authors: Spanopoulos
authors: National Center for Scientific Research "Demokritos", 15341 Agia Paraskevi Attikis, Greece.
authors: I
authors: I
authors: Bratsos
authors: Department of Chemistry University of Crete, Voutes, Heraklion, 71003, Greece. ptrikal@uoc.gr and National Center for Scientific Research "Demokritos", 15341 Agia Paraskevi Attikis, Greece.
authors: C
authors: C
authors: Tampaxis
authors: National Center for Scientific Research "Demokritos", 15341 Agia Paraskevi Attikis, Greece.
authors: D
authors: D
authors: Vourloumis
authors: Department of Chemistry University of Crete, Voutes, Heraklion, 71003, Greece. ptrikal@uoc.gr.
authors: E
authors: E
authors: Klontzas
authors: Department of Chemistry University of Crete, Voutes, Heraklion, 71003, Greece. ptrikal@uoc.gr.
authors: G E
authors: GE
authors: Froudakis
authors: National Center for Scientific Research "Demokritos", 15341 Agia Paraskevi Attikis, Greece.
authors: G
authors: G
authors: Charalambopoulou
authors: National Center for Scientific Research "Demokritos", 15341 Agia Paraskevi Attikis, Greece.
authors: T A
authors: TA
authors: Steriotis
authors: Department of Chemistry University of Crete, Voutes, Heraklion, 71003, Greece. ptrikal@uoc.gr.
authors: P N
authors: PN
authors: Trikalitis