Metal defects in HKUST-1 MOF revealed by vibrational spectroscopy: a combined quantum mechanical and experimental study

Gentile, Francesco Silvio; Pannico, Marianna; Causa, Mariella; Mensitieri, Giuseppe; Palma, Giulio Di; Scherillo, Giuseppe; Musto, Pellegrino

doi:10.1039/d0ta01760d

“…The peak at 811. The analysis is consistent with the literature reports 42,46 , 43,47 , 44,45 , 48 .…”

supporting

confidence: 92%

Room Temperature Synthesis of Cu-BTC Coordination Polymer and Metal-Organic Framework by pH Control

Sa

¹

,

Roller²,

Shiozawa³

2021

Preprint

0

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<div>Synthesis of crystalline materials is crucial in the field of</div><div>coordination chemistry. In the present work, the reaction</div><div>between the copper and benzene-1,3,5-tricarboxylic acid</div><div>(BTC) ligand is controlled by adjusting the pH of the</div><div>reaction mixture to synthesize two crystalline structures:</div><div>metal-organic framework HKUST-1 and one-dimensional</div><div>coordination polymer Cu(BTC).3H<sub>2</sub>O. Single crystals of both</div><div>structures are studied by multi-laser Raman spectroscopy.</div><div>It is found that both crystals exhibit photoluminescence.</div><div>Also, the transformation of HKUST-1 into Cu(BTC).3H<sub>2</sub>O is</div><div>demonstrated. This work provides impetus for researchers</div><div>to synthesize large metal-organic crystals.</div>

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“…In the HKUST-1 spectrum, the peaks at 745.15 and 829.29 cm −1 are designated as C-H bending vibrations 42,43 . The peak at 811.13 cm −1 is designated as C-H bending in case of Cu(BTC)•3H The analysis is consistent with the literature reports 42,46 , 43,47 , 44,45 , 48 .…”

supporting

confidence: 89%

Room Temperature Synthesis of Cu-BTC Coordination Polymer and Metal-Organic Framework by pH Control

Siddiqui

¹

,

Roller²,

Shiozawa³

2021

Preprint

0

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<div>Synthesis of crystalline materials is crucial in the field of</div><div>coordination chemistry. In the present work, the reaction</div><div>between the copper and benzene-1,3,5-tricarboxylic acid</div><div>(BTC) ligand is controlled by adjusting the pH of the</div><div>reaction mixture to synthesize two crystalline structures:</div><div>metal-organic framework HKUST-1 and one-dimensional</div><div>coordination polymer Cu(BTC).3H<sub>2</sub>O. Single crystals of both</div><div>structures are studied by multi-laser Raman spectroscopy.</div><div>It is found that both crystals exhibit photoluminescence.</div><div>Also, the transformation of HKUST-1 into Cu(BTC).3H<sub>2</sub>O is</div><div>demonstrated. This work provides impetus for researchers</div><div>to synthesize large metal-organic crystals.</div>

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“…Besides, FTIR spectra of adsorbed specic probe molecules (e.g., CO, 100,101 CD 3 CN, 80,102 and pyridine 27,81,103 ) have been used to characterize coordinatively unsaturated metal sites, which are associated with missing linker defects. Recently, Gentile et al 104 reported a combination of the FTIR and Raman spectra of the HKUST-1 MOF with an ab initio theoretical analysis of the vibrational spectra to reveal spectroscopic signatures of framework defects.…”

Section: View Article Onlinementioning

confidence: 99%

Synthesis, characterization and application of defective metal–organic frameworks: current status and perspectives

Xiang

¹

,

Zhang

²

,

Chen

³

et al. 2020

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Metal defects in HKUST-1 MOF revealed by vibrational spectroscopy: a combined quantum mechanical and experimental study

Abstract: This paper reports an interpretation of the FTIR and Raman spectra of the HKUST-1 MOF in light of an ab initio theoretical analysis of the vibrational spectra of the framework.

Cited by 53 publications

References 72 publications

Room Temperature Synthesis of Cu-BTC Coordination Polymer and Metal-Organic Framework by pH Control

Room Temperature Synthesis of Cu-BTC Coordination Polymer and Metal-Organic Framework by pH Control

Room Temperature Synthesis of Cu-BTC Coordination Polymer and Metal-Organic Framework by pH Control

Synthesis, characterization and application of defective metal–organic frameworks: current status and perspectives

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