InOF-1中受限的甲苯：增强的CO捕获能力

Confined toluene within InOF-1: CO capture enhancement.

作者信息

Garrido-Olvera L Pamela, Sanchez-Bautista Jonathan E, Alvarado-Alvarado Daniel, Landeros-Rivera Bruno, Álvarez J Raziel, Vargas Rubicelia, González-Zamora Eduardo, Balmaseda Jorge, Lara-García Hugo A, Martínez Ana, 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, Coyoacán 04510 Ciudad de México Mexico

Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa San Rafael Atlixco 186, Col. Vicentina, Iztapalapa C. P. 09340 Ciudad de México Mexico

出版信息

RSC Adv. 2019 Oct 15;9(56):32864-32872. doi: 10.1039/c9ra05991a. eCollection 2019 Oct 10.

DOI:10.1039/c9ra05991a

PMID:35529732

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9073166/

Abstract

The toluene adsorption properties of InOF-1 are studied along with the confinement of small amounts of this non-polar molecule revealing a 1.38-fold increase in CO capture, from 5.26 wt% under anhydrous conditions to 7.28 wt% with a 1.5 wt% of pre-confined toluene at 298 K. The InOF-1 affinity towards toluene was experimentally quantified by Δ (-46.81 kJ mol). InOF-1 is shown to be a promising material for CO capture under industrial conditions. Computational calculations (DFT and QTAIM) and DRIFTs experiments provided a possible explanation for the experimental CO capture enhancement by showing how the toluene molecule is confined within InOF-1, which constructed a "bottleneck effect".

摘要

研究了InOF-1对甲苯的吸附特性，以及少量这种非极性分子的限制作用，结果表明，在298K下，CO捕获量增加了1.38倍，从无水条件下的5.26 wt%增加到预限制1.5 wt%甲苯时的7.28 wt%。通过Δ（-46.81 kJ mol）实验定量了InOF-1对甲苯的亲和力。结果表明，InOF-1是一种在工业条件下捕获CO的有前景的材料。计算计算（DFT和QTAIM）和DRIFTs实验通过展示甲苯分子如何被限制在InOF-1内，从而构建了一种“瓶颈效应”，为实验中CO捕获增强提供了一种可能的解释。