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Facile synthesis of aminated indole-based porous organic polymer for highly selective capture of CO₂ by the coefficient effect of π-π-stacking and hydrogen bonding.

ABSTRACT: A new aromatic aminated indole-based porous organic polymer, PIN-NH₂, has been successfully constructed, and it was demonstrated that the coefficient effect endows this porous material with outstanding CO₂ absorption capacity (27.7 wt%, 1.0 bar, 273 K) and high CO₂/N₂ (137 at 273 K and 1 bar) and CO₂/CH₄ (34 at 273 K and 1 bar) selectivity.

SUBMITTER: He Q

PROVIDER: S-EPMC9063548 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature

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Facile synthesis of aminated indole-based porous organic polymer for highly selective capture of CO2 by the coefficient effect of π-π-stacking and hydrogen bonding.

He Qiang Q Xu Yi Y Yang Xiaoqiang X

RSC advances 20190416 21

A new aromatic aminated indole-based porous organic polymer, PIN-NH2, has been successfully constructed, and it was demonstrated that the coefficient effect endows this porous material with outstanding CO2 absorption capacity (27.7 wt%, 1.0 bar, 273 K) and high CO2/N2 (137 at 273 K and 1 bar) and CO2/CH4 (34 at 273 K and 1 bar) selectivity. ...[more]

PMID: 35516987

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Project description:The cis- and trans-isomers of 6-(3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl)cyclohex-3-ene-1-carboxylic acid (cis-A and trans-A) were obtained by the reaction of 3,4-dichloro-N'-hydroxybenzimidamide and cis-1,2,3,6-tetrahydrophthalic anhydride. Cocrystals of cis-A with appropriate solvents (cis-A‧½(1,2-DCE), cis-A‧½(1,2-DBE), and cis-A‧½C6H14) were grown from 1,2-dichloroethane (1,2-DCE), 1,2-dibromoethane (1,2-DBE), and a n-hexane/CHCl3 mixture and then characterized by X-ray crystallography. In their structures, cis-A is self-assembled to give a hybrid 2D supramolecular organic framework (SOF) formed by the cooperative action of O-H⋯O hydrogen bonding, Cl⋯O halogen bonding, and π⋯π stacking. The self-assembled cis-A divides the space between the 2D SOF layers into infinite hollow tunnels incorporating solvent molecules. The energy contribution of each noncovalent interaction to the occurrence of the 2D SOF was verified by several theoretical approaches, including MEP and combined QTAIM and NCIplot analyses. The consideration of the theoretical data proved that hydrogen bonding (approx. -15.2 kcal/mol) is the most important interaction, followed by π⋯π stacking (approx. -11.1 kcal/mol); meanwhile, the contribution of halogen bonding (approx. -3.6 kcal/mol) is the smallest among these interactions. The structure of the isomeric compound trans-A does not exhibit a 2D SOF architecture. It is assembled by the combined action of hydrogen bonding and π⋯π stacking, without the involvement of halogen bonds. A comparison of the cis-A structures with that of trans-A indicated that halogen bonding, although it has the lowest energy in cis-A-based cocrystals, plays a significant role in the crystal design of the hybrid 2D SOF. The majority of the reported porous halogen-bonded organic frameworks were assembled via iodine and bromine-based contacts, while chlorine-based systems-which, in our case, are structure-directing-were unknown before this study.

Dataset Information

Facile synthesis of aminated indole-based porous organic polymer for highly selective capture of CO₂ by the coefficient effect of π-π-stacking and hydrogen bonding.

Publications

Facile synthesis of aminated indole-based porous organic polymer for highly selective capture of CO<sub>2</sub> by the coefficient effect of π-π-stacking and hydrogen bonding.

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