NO adsorption in amino-modified Cu3(btc)2-type MOFs studied by solid-state NMR

Khan, Arafat Hossain; Peikert, Katharina; Fröba, Michael; Bertmer, Marko

doi:10.1016/j.micromeso.2015.02.022

Cited by 20 publications

(25 citation statements)

References 39 publications

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“…The signal at 8 ppm is from the btc protons as has also been seen in Cu 3 btc 2 47 and UHM-30. 37 We assign a third signal at 8.1 ppm based on the deconvolution that is not resolved to the NH proton, which is similar to the value already reported in the solution NMR spectrum of the free ligand. 35 The broad signal at 0.4 ppm is then combined from the protons of the alkyl group that are not further resolved.…”

Section: ■ Introductionsupporting

confidence: 79%

“…Additional signals are also seen for NO-loaded Cu 3 btc 2 . 37 Furthermore, a shift of the aromatic signal to lower ppm values is observed with increasing NO loading in UHM-37 (summarized in Figure S6). The same trend has been observed for the Cu 3 btc 2 samples.…”

Section: ■ Introductionmentioning

confidence: 91%

“…We observed a similar result also in NO-loaded Cu 3 (NH 2 btc) 2 (UHM-30). 37 Second, the increase in aromatic line width is a result of the paramagnetic nitric oxide leading to an increase in the anisotropic bulk magnetic susceptibility of protons near NO. 51 Both effects together then explain that until 1.6 NO/NHEt, diamagnetic NONOates form that affect the line width of the aliphatic protons because of the new signals.…”

Section: ■ Introductionmentioning

confidence: 99%

“…37,47,51 The hyperfine interaction (or more precisely the anisotropic hyperfine shift 52 ) can be can be analyzed in the same way as a chemical shift anisotropy (CSA) pattern. 37,53 Additional paramagnetic NO should therefore also have an effect on the hyperfine coupling. Figure S8 shows the results for the hyperfine coupling of both Cu 3 btc 2 and UHM-37 samples as a function of NO loading.…”

Section: ■ Introductionmentioning

confidence: 99%

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Nitric Oxide Adsorption in Cu₃btc₂-Type MOFs—Physisorption and Chemisorption as NONOates

et al. 2019

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The adsorption of the biologically important signaling molecule nitric oxide (NO) on two metal−organic frameworks (MOFs), Cu 3 btc 2 and Cu 3 (NHEtbtc) 2 , has been studied by multinuclear solid-state NMR. N-Diazenium diolate (NONOate) formation as primary mode of NO adsorption in the latter MOF is concluded from 15 N, 1 H, and 13 C NMR spectra together with analysis of the 1 H spin−lattice relaxation time (T 1 ). Furthermore, NO adsorption at the open metal site of Cu 3 btc 2 as well as Cu 3 (NHEtbtc) 2 is also evident, indicating both physisorption and chemisorption of nitric oxide.

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Section: ■ Introductionsupporting

confidence: 79%

Section: ■ Introductionmentioning

confidence: 91%

Section: ■ Introductionmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Nitric Oxide Adsorption in Cu₃btc₂-Type MOFs—Physisorption and Chemisorption as NONOates

et al. 2019

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“…In Figure 3 , we provide adsorption Gibbs free energy of NO, NO 2 , and NH 3 adsorption on various M-HKUST-1 as a function of the NCC chemical potential. The NCC chemical potential is correlated with pressure for room temperature (RT) as is characteristic of real temperatures employed in experiments [ 13 , 44 , 45 ].…”

Section: Resultsmentioning

confidence: 99%

A DFT Screening of M-HKUST-1 MOFs for Nitrogen-Containing Compounds Adsorption

Zong

Lü

et al. 2018

Nanomaterials

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To develop promising adsorbent candidates for adsorptive denitrogenation, we screened the adsorption of NO, NO2, and NH3 in 19 M-HKUST-1 (M = Be, Fe, Ni, Cr, Co, Cu, V, Zn, Mo, Mn, W, Sn, Ti, Cd, Mg, Sc, Ca, Sr, and Ba) systematically using first-principle calculations. Of these, four variants of M-HKUST-1 (M = Ni, Co, V, and Sc) yield more negative adsorption Gibbs free energy ΔGads than the original Cu-HKUST-1 for three adsorbates, suggesting stronger adsorbate binding. Ti-HKUST-1, Sc-HKUST-1, and Be-HKUST-1 are predicted to have the largest NO, NO2, and NH3 adsorption energies within the screened M-HKUST-1 series, respectively. With the one exception of NO2 dissociation on V-HKUST-1, dissociative adsorption of NO, NO2, and NH3 molecules on the other considered M-HKUST-1 is energetically less favorable than molecular adsorption thermodynamically. The barrier calculations show that the dissociation is difficult to occur on Cu-HKUST-1 kinetically due to the very large dissociation barrier. Electronic analysis is provided to explain the bond nature between the adsorbates and M-HKUST-1. Note that the isostructural substitution of Cu to the other metals is a major simplification of the system, representing the ideal situation; however, the present study provides interesting targets for experimental synthesis and testing.

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Metal–Organic Frameworks for NO_x Adsorption and Their Applications in Separation, Sensing, Catalysis, and Biology

Lin

Qin

et al. 2022

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Nitrogen oxide (NOx) is a family of poisonous and highly reactive gases formed when fuel is burned at high temperatures during anthropogenic behavior. It is a strong oxidizing agent that significantly contributes to the ozone and smog in the atmosphere. Thus, NOx removal is important for the ecological environment upon which the civilization depends. In recent decades, metal–organic frameworks (MOFs) have been regarded as ideal candidates to address these issues because they form a reticular structure between proper inorganic and organic constituents with ultrahigh porosity and high internal surface area. These characteristics render them chemically adaptable for NOx adsorption, separation, sensing, and catalysis. In additional, MOFs enable potential nitric oxide (NO) delivery for the signaling of molecular NO in the human body. Herein, the different advantages of MOFs for coping with current environmental burdens and improving the habitable environment of humans on the basis of NOx adsorption are reviewed.

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NO adsorption in amino-modified Cu3(btc)2-type MOFs studied by solid-state NMR

Cited by 20 publications

References 39 publications

Nitric Oxide Adsorption in Cu₃btc₂-Type MOFs—Physisorption and Chemisorption as NONOates

Nitric Oxide Adsorption in Cu₃btc₂-Type MOFs—Physisorption and Chemisorption as NONOates

A DFT Screening of M-HKUST-1 MOFs for Nitrogen-Containing Compounds Adsorption

Metal–Organic Frameworks for NO_x Adsorption and Their Applications in Separation, Sensing, Catalysis, and Biology

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NO adsorption in amino-modified Cu3(btc)2-type MOFs studied by solid-state NMR

Cited by 20 publications

References 39 publications

Nitric Oxide Adsorption in Cu3btc2-Type MOFs—Physisorption and Chemisorption as NONOates

Nitric Oxide Adsorption in Cu3btc2-Type MOFs—Physisorption and Chemisorption as NONOates

A DFT Screening of M-HKUST-1 MOFs for Nitrogen-Containing Compounds Adsorption

Metal–Organic Frameworks for NOx Adsorption and Their Applications in Separation, Sensing, Catalysis, and Biology

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Nitric Oxide Adsorption in Cu₃btc₂-Type MOFs—Physisorption and Chemisorption as NONOates

Nitric Oxide Adsorption in Cu₃btc₂-Type MOFs—Physisorption and Chemisorption as NONOates

Metal–Organic Frameworks for NO_x Adsorption and Their Applications in Separation, Sensing, Catalysis, and Biology