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Issue 16, 2019
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CO2 capture enhancement for InOF-1: confinement of 2-propanol

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Abstract

The 2-propanol (i-PrOH) adsorption properties of InOF-1 are investigated along with the confinement of small amounts of this alcohol to enhance the CO2 capture for i-PrOH@InOF-1 (1.25-fold improvement compared to pristine InOF-1). InOF-1 exhibited a high affinity towards i-PrOH, experimentally quantified by ΔHads (−55 kJ mol−1), and DFT geometry optimisations showed strong hydrogen bonding between O(i-PrOH) and H(μ2-OH). Quantum chemical models demonstrated that the CO2 capture increase for i-PrOH@InOF-1 was due to a decrease in the void surface of InOF-1 (bottleneck effect), and the formation of essential hydrogen bonds of CO2 with i-PrOH and with the hydroxo functional group (μ2-OH) of InOF-1.

Graphical abstract: CO2 capture enhancement for InOF-1: confinement of 2-propanol

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Publication details

The article was received on 28 Jan 2019, accepted on 05 Mar 2019 and first published on 06 Mar 2019


Article type: Paper
DOI: 10.1039/C9DT00384C
Dalton Trans., 2019,48, 5176-5182

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    CO2 capture enhancement for InOF-1: confinement of 2-propanol

    J. E. Sánchez-Bautista, B. Landeros-Rivera, T. Jurado-Vázquez, A. Martínez, E. González-Zamora, J. Balmaseda, R. Vargas and I. A. Ibarra, Dalton Trans., 2019, 48, 5176
    DOI: 10.1039/C9DT00384C

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