CO capture enhancement for InOF-1: confinement of 2-propanol.

作者信息

Sánchez-Bautista Jonathan E, Landeros-Rivera Bruno, Jurado-Vázquez Tamara, Martínez Ana, González-Zamora Eduardo, Balmaseda Jorge, Vargas Rubicelia, Ibarra Ilich A

机构信息

Laboratorio de Fisicoquímica y Reactividad de Superficies (LaFReS), Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior s/n, CU, Del. Coyoacán, 04510, Ciudad de México, Mexico.

出版信息

Dalton Trans. 2019 Apr 16;48(16):5176-5182. doi: 10.1039/c9dt00384c.

DOI:10.1039/c9dt00384c

PMID:30869732

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.

摘要