A new Co(ii) metal-organic framework with enhanced CO2 adsorption and separation performance

Xiao Ting Liu; Yan Yuan Jia; Ying Hui Zhang; Guo Jian Ren; Rui Feng; Shi Yu Zhang; Michael J. Zaworotko; Xian He Bu

doi:10.1039/c6qi00191b

A new Co(ii) metal-organic framework with enhanced CO₂ adsorption and separation performance

Xiao Ting Liu
, Yan Yuan Jia
, Ying Hui Zhang
, Guo Jian Ren
, Rui Feng
, Shi Yu Zhang
, Michael J. Zaworotko
, Xian He Bu

Nankai University

Research output: Contribution to journal › Article › peer-review

Abstract

The new functional ligand 5-(1H-pyrazole-4-carboxamido)isophthalic acid (H₃L) reacts with CoSO₄·7H₂O to form a new three-dimensional metal-organic framework, [Co₄(HL^2-)₄(DMF)₂(H₂O)₂]_n·solvent (1) with a new (3,6)-connected topology. 1 exhibits one-dimensional polar channels with approximate dimensions of 6.0 × 8.0 Å² decorated with accessible functional sites. These sites contribute to enhanced CO₂ uptake (103.2 cm³ g^-1 at 273 K and 1 bar) and CO₂/CH₄ selectivity (7.25 for CO₂/CH₄ = 50:50; 8.59 for CO₂/CH₄ = 5:95) at 298 K and 1 bar. DFT calculations were also performed to elucidate the binding sites. These results suggest that complex 1 is an attractive candidate for CO₂ adsorption and separation.

Original language	English
Pages (from-to)	1510-1515
Number of pages	6
Journal	Inorganic Chemistry Frontiers
Volume	3
Issue number	12
DOIs	https://doi.org/10.1039/c6qi00191b
Publication status	Published - 2016

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title = "A new Co(ii) metal-organic framework with enhanced CO2 adsorption and separation performance",

abstract = "The new functional ligand 5-(1H-pyrazole-4-carboxamido)isophthalic acid (H3L) reacts with CoSO4·7H2O to form a new three-dimensional metal-organic framework, [Co4(HL2-)4(DMF)2(H2O)2]n·solvent (1) with a new (3,6)-connected topology. 1 exhibits one-dimensional polar channels with approximate dimensions of 6.0 × 8.0 {\AA}2 decorated with accessible functional sites. These sites contribute to enhanced CO2 uptake (103.2 cm3 g-1 at 273 K and 1 bar) and CO2/CH4 selectivity (7.25 for CO2/CH4 = 50:50; 8.59 for CO2/CH4 = 5:95) at 298 K and 1 bar. DFT calculations were also performed to elucidate the binding sites. These results suggest that complex 1 is an attractive candidate for CO2 adsorption and separation.",

author = "Liu, \{Xiao Ting\} and Jia, \{Yan Yuan\} and Zhang, \{Ying Hui\} and Ren, \{Guo Jian\} and Rui Feng and Zhang, \{Shi Yu\} and Zaworotko, \{Michael J.\} and Bu, \{Xian He\}",

note = "Publisher Copyright: {\textcopyright} 2016 This journal is the Partner Organisations.",

year = "2016",

doi = "10.1039/c6qi00191b",

language = "English",

volume = "3",

pages = "1510--1515",

journal = "Inorganic Chemistry Frontiers",

issn = "2052-1553",

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T1 - A new Co(ii) metal-organic framework with enhanced CO2 adsorption and separation performance

AU - Liu, Xiao Ting

AU - Jia, Yan Yuan

AU - Zhang, Ying Hui

AU - Ren, Guo Jian

AU - Feng, Rui

AU - Zhang, Shi Yu

AU - Zaworotko, Michael J.

AU - Bu, Xian He

PY - 2016

Y1 - 2016

N2 - The new functional ligand 5-(1H-pyrazole-4-carboxamido)isophthalic acid (H3L) reacts with CoSO4·7H2O to form a new three-dimensional metal-organic framework, [Co4(HL2-)4(DMF)2(H2O)2]n·solvent (1) with a new (3,6)-connected topology. 1 exhibits one-dimensional polar channels with approximate dimensions of 6.0 × 8.0 Å2 decorated with accessible functional sites. These sites contribute to enhanced CO2 uptake (103.2 cm3 g-1 at 273 K and 1 bar) and CO2/CH4 selectivity (7.25 for CO2/CH4 = 50:50; 8.59 for CO2/CH4 = 5:95) at 298 K and 1 bar. DFT calculations were also performed to elucidate the binding sites. These results suggest that complex 1 is an attractive candidate for CO2 adsorption and separation.

AB - The new functional ligand 5-(1H-pyrazole-4-carboxamido)isophthalic acid (H3L) reacts with CoSO4·7H2O to form a new three-dimensional metal-organic framework, [Co4(HL2-)4(DMF)2(H2O)2]n·solvent (1) with a new (3,6)-connected topology. 1 exhibits one-dimensional polar channels with approximate dimensions of 6.0 × 8.0 Å2 decorated with accessible functional sites. These sites contribute to enhanced CO2 uptake (103.2 cm3 g-1 at 273 K and 1 bar) and CO2/CH4 selectivity (7.25 for CO2/CH4 = 50:50; 8.59 for CO2/CH4 = 5:95) at 298 K and 1 bar. DFT calculations were also performed to elucidate the binding sites. These results suggest that complex 1 is an attractive candidate for CO2 adsorption and separation.

UR - https://www.scopus.com/pages/publications/85000733436

U2 - 10.1039/c6qi00191b

DO - 10.1039/c6qi00191b

M3 - Article

AN - SCOPUS:85000733436

SN - 2052-1553

VL - 3

SP - 1510

EP - 1515

JO - Inorganic Chemistry Frontiers

JF - Inorganic Chemistry Frontiers

IS - 12

ER -

A new Co(ii) metal-organic framework with enhanced CO₂ adsorption and separation performance

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