Details

Autor(en) / Beteiligte

• Fu, Yao
• Yao, Yifeng
• Forse, Alexander C
• Li, Jianhua
• Mochizuki, Kenji
• Long, Jeffrey R
• Reimer, Jeffrey A
• De Paëpe, Gaël
• Kong, Xueqian

Titel

Solvent-derived defects suppress adsorption in MOF-74

Ist Teil von

• Nature communications, 2023-04, Vol.14 (1), p.2386-2386, Article 2386

Ort / Verlag

England: Nature Publishing Group

Erscheinungsjahr

2023

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Defects in metal-organic frameworks (MOFs) have great impact on their nano-scale structure and physiochemical properties. However, isolated defects are easily concealed when the frameworks are interrogated by typical characterization methods. In this work, we unveil the presence of solvent-derived formate defects in MOF-74, an important class of MOFs with open metal sites. With multi-dimensional solid-state nuclear magnetic resonance (NMR) investigations, we uncover the ligand substitution role of formate and its chemical origin from decomposed N,N-dimethylformamide (DMF) solvent. The placement and coordination structure of formate defects are determined by C NMR and density functional theory (DFT) calculations. The extra metal-oxygen bonds with formates partially eliminate open metal sites and lead to a quantitative decrease of N and CO adsorption with respect to the defect concentration. In-situ NMR analysis and molecular simulations of CO dynamics elaborate the adsorption mechanisms in defective MOF-74. Our study establishes comprehensive strategies to search, elucidate and manipulate defects in MOFs.