Solid-state NMR data for: Sequential pore functionalization in MOFs for enhanced carbon dioxide capture
Data files
Nov 24, 2024 version files 2.18 MB
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Data_Solid-state_NMR.zip
2.18 MB
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README.md
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Abstract
In "Sequential Pore Functionalization in MOFs for Enhanced Carbon Dioxide Capture", this dataset contains solid-state 13C NMR measurements of a copper (Cu(II))-based MOF, mCBMOF-1, including as-made, functionalized, and CO2-loaded samples. The NMR data provide molecular-level information on the sequential loading of NH3 followed by CO2 adsorption. In the associated study, the process was shown to generate a copper-carbamic acid complex within the MOF pores. These data support the study on sequential pore functionalization to enhance interactions with small molecules such as CO2.
https://doi.org/10.5061/dryad.v15dv426b
Description of the data and file structure
This dataset includes solid-state 13C NMR data of as-made MOF and CO2 loading with functionalized MOF. The corresponding authors for the study 'Sequential Pore Functionalization in MOFs for Enhanced Carbon Dioxide Capture', in which this dataset is utilized, are Dr. Hongliang Huang and Dr. Kyriakos C. Stylianou.
Solid-state NMR contains solid-state NMR data on 13C nuclei, which were collected at 400 MHz magnetic fields with magic angle spinning (MAS).
- The subfolder of “as-made MOF” represents materials without functionalization.
- The subfolder of "functionalized MOF" represents functionalization of as-made MOF.
- The subfolder of "CO2_functionalized MOF" represents functionalization of as-made MOF, followed by CO2 loading.
- The subfolder of "DABCO" represents DABCO ligands.
- The subfolder of "mCB" represents mCB ligands.