Confinement of H2O and EtOH to enhance CO2 capture in MIL-53(Al)-TDC. Issue 28 (29th June 2018)

• Record Type: Journal Article
• Authors: González-Martínez, Gerardo A.; Jurado-Vázquez, Tamara; Solís-Ibarra, Diego; Vargas, Brenda; Sánchez-González, Elí; Martínez, Ana; Vargas, Rubicelia; González-Zamora, Eduardo; Ibarra, Ilich A.
• Is Part Of: Dalton transactions. Volume 47:Issue 28(2018)
• Page Start: 9459
• Page End: 9465
• Publication Date: 2018-06-29
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/c8dt01369a
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : EtOH adsorption–desorption properties of MIL-53(Al)-TDC along with the confinement of small amounts of water to enhance its CO2 capture, and the reversible capture of iodine are presented in this article. Abstract : EtOH sorption properties were investigated in MIL-53(Al)-TDC and found a strong interaction between EtOH and the MOF material (Δ H ads = 69.6 kJ mol −1 ). CO2 capture was enhanced upon confining small amounts of H2 O. Upon confining small amounts of EtOH however, the CO2 uptake was not improved. The difference in CO2 uptake with EtOH and H2 O was rationalised using computational calculations. The analysis of the quantum theory of atoms in molecules (QTAIM) showed a covalent interaction between a MOF model and confined molecules (EtOH and H2 O), and no difference in the hydrogen bonds between confined molecules and CO2 .