Selective gas adsorption in microporous metal-organic frameworks incorporating urotropine basic sites: An experimental and theoretical study

S. A. Sapchenko; D. N. Dybtsev; D. G. Samsonenko; R. V. Belosludov; V. R. Belosludov; Y. Kawazoe; M. Schröder; V. P. Fedin

doi:10.1039/c5cc05779e

Selective gas adsorption in microporous metal-organic frameworks incorporating urotropine basic sites: An experimental and theoretical study

S. A. Sapchenko, D. N. Dybtsev, D. G. Samsonenko, R. V. Belosludov, V. R. Belosludov, Y. Kawazoe, M. Schröder, V. P. Fedin

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

28 Citations (Scopus)

Abstract

The sorption of CO, CO₂ and C₂H₂ by two urotropine-containing porous metal-organic framework materials [Zn₄(dmf)(ur)₂(ndc)₄] (H₂ndc = 2,6-naphthalenedicarboxylic acid; ur = urotropine; dmf = dimethylformamide) and [Zn₁₁(H₂O)₂(ur)₄(bpdc)₁₁] (H₄bpdc = 4,4′-biphenyldicarboxylic acid) incorporating free N-donors has been investigated. These materials show pronounced affinity for CO₂ and C₂H₂, and these observations are supported by interaction energy and ab initio DFT calculations.

Original language	English
Pages (from-to)	13918-13921
Number of pages	4
Journal	Chemical Communications
Volume	51
Issue number	73
DOIs	https://doi.org/10.1039/c5cc05779e
Publication status	Published - 2015 Jul 24

ASJC Scopus subject areas

Catalysis
Electronic, Optical and Magnetic Materials
Ceramics and Composites
Chemistry(all)
Surfaces, Coatings and Films
Metals and Alloys
Materials Chemistry

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10.1039/c5cc05779e

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title = "Selective gas adsorption in microporous metal-organic frameworks incorporating urotropine basic sites: An experimental and theoretical study",

abstract = "The sorption of CO, CO2 and C2H2 by two urotropine-containing porous metal-organic framework materials [Zn4(dmf)(ur)2(ndc)4] (H2ndc = 2,6-naphthalenedicarboxylic acid; ur = urotropine; dmf = dimethylformamide) and [Zn11(H2O)2(ur)4(bpdc)11] (H4bpdc = 4,4′-biphenyldicarboxylic acid) incorporating free N-donors has been investigated. These materials show pronounced affinity for CO2 and C2H2, and these observations are supported by interaction energy and ab initio DFT calculations.",

author = "Sapchenko, {S. A.} and Dybtsev, {D. N.} and Samsonenko, {D. G.} and Belosludov, {R. V.} and Belosludov, {V. R.} and Y. Kawazoe and M. Schr{\"o}der and Fedin, {V. P.}",

note = "Publisher Copyright: {\textcopyright} The Royal Society of Chemistry 2015.",

year = "2015",

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doi = "10.1039/c5cc05779e",

language = "English",

volume = "51",

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journal = "Chemical Communications",

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publisher = "Royal Society of Chemistry",

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T1 - Selective gas adsorption in microporous metal-organic frameworks incorporating urotropine basic sites

T2 - An experimental and theoretical study

AU - Sapchenko, S. A.

AU - Dybtsev, D. N.

AU - Samsonenko, D. G.

AU - Belosludov, R. V.

AU - Belosludov, V. R.

AU - Kawazoe, Y.

AU - Schröder, M.

AU - Fedin, V. P.

PY - 2015/7/24

Y1 - 2015/7/24

N2 - The sorption of CO, CO2 and C2H2 by two urotropine-containing porous metal-organic framework materials [Zn4(dmf)(ur)2(ndc)4] (H2ndc = 2,6-naphthalenedicarboxylic acid; ur = urotropine; dmf = dimethylformamide) and [Zn11(H2O)2(ur)4(bpdc)11] (H4bpdc = 4,4′-biphenyldicarboxylic acid) incorporating free N-donors has been investigated. These materials show pronounced affinity for CO2 and C2H2, and these observations are supported by interaction energy and ab initio DFT calculations.

AB - The sorption of CO, CO2 and C2H2 by two urotropine-containing porous metal-organic framework materials [Zn4(dmf)(ur)2(ndc)4] (H2ndc = 2,6-naphthalenedicarboxylic acid; ur = urotropine; dmf = dimethylformamide) and [Zn11(H2O)2(ur)4(bpdc)11] (H4bpdc = 4,4′-biphenyldicarboxylic acid) incorporating free N-donors has been investigated. These materials show pronounced affinity for CO2 and C2H2, and these observations are supported by interaction energy and ab initio DFT calculations.

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JO - Chemical Communications

JF - Chemical Communications

IS - 73

ER -

Selective gas adsorption in microporous metal-organic frameworks incorporating urotropine basic sites: An experimental and theoretical study

Abstract

ASJC Scopus subject areas

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