Paramagnetic Nuclear Magnetic Resonance: The Toolkit
Nuclear Magnetic Resonance (NMR) spectroscopy is the ideal tool to address the structure, reactivity and dynamics of both inorganic and biological substances. The knowledge of nuclear spin interaction and spin dynamics is increasingly consolidated, and this allows for tailoring pulse sequences. When...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-12-01
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| Series: | Inorganics |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2304-6740/12/1/15 |
| _version_ | 1797343419874410496 |
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| author | Leonardo Querci Letizia Fiorucci Enrico Ravera Mario Piccioli |
| author_facet | Leonardo Querci Letizia Fiorucci Enrico Ravera Mario Piccioli |
| author_sort | Leonardo Querci |
| collection | DOAJ |
| description | Nuclear Magnetic Resonance (NMR) spectroscopy is the ideal tool to address the structure, reactivity and dynamics of both inorganic and biological substances. The knowledge of nuclear spin interaction and spin dynamics is increasingly consolidated, and this allows for tailoring pulse sequences. When dealing with paramagnetic systems, several decades of research have led to the development of rule-of-the-thumb criteria for optimizing the experiments, allowing for the detection of nuclei that are in very close proximity to the metal center. In turn, the observation of these systems, coupled with the development of robust and accessible quantum chemical methods, is promising to provide a link between the spectra and the structural features through the interpretation of the electronic structure. In this review, we list the challenges encountered and propose solutions for dealing with paramagnetic systems with the greatest satisfaction. In our intentions, this is a practical toolkit for optimizing acquisition and processing parameters for routine experiments aimed at detecting signals influenced by the hyperfine interaction. The implications of paramagnetic shift and line broadening are examined. With this endeavor, we wish to encourage non-expert users to consider the application of paramagnetic NMR to their systems. |
| first_indexed | 2024-03-08T10:47:18Z |
| format | Article |
| id | doaj.art-8375a89266744d06a771032b2bba46f5 |
| institution | Directory Open Access Journal |
| issn | 2304-6740 |
| language | English |
| last_indexed | 2024-03-08T10:47:18Z |
| publishDate | 2023-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Inorganics |
| spelling | doaj.art-8375a89266744d06a771032b2bba46f52024-01-26T17:04:00ZengMDPI AGInorganics2304-67402023-12-011211510.3390/inorganics12010015Paramagnetic Nuclear Magnetic Resonance: The ToolkitLeonardo Querci0Letizia Fiorucci1Enrico Ravera2Mario Piccioli3Magnetic Resonance Center and Department of Chemistry, University of Florence, Via Luigi Sacconi 6, 50019 Sesto Fiorentino, ItalyMagnetic Resonance Center and Department of Chemistry, University of Florence, Via Luigi Sacconi 6, 50019 Sesto Fiorentino, ItalyMagnetic Resonance Center and Department of Chemistry, University of Florence, Via Luigi Sacconi 6, 50019 Sesto Fiorentino, ItalyMagnetic Resonance Center and Department of Chemistry, University of Florence, Via Luigi Sacconi 6, 50019 Sesto Fiorentino, ItalyNuclear Magnetic Resonance (NMR) spectroscopy is the ideal tool to address the structure, reactivity and dynamics of both inorganic and biological substances. The knowledge of nuclear spin interaction and spin dynamics is increasingly consolidated, and this allows for tailoring pulse sequences. When dealing with paramagnetic systems, several decades of research have led to the development of rule-of-the-thumb criteria for optimizing the experiments, allowing for the detection of nuclei that are in very close proximity to the metal center. In turn, the observation of these systems, coupled with the development of robust and accessible quantum chemical methods, is promising to provide a link between the spectra and the structural features through the interpretation of the electronic structure. In this review, we list the challenges encountered and propose solutions for dealing with paramagnetic systems with the greatest satisfaction. In our intentions, this is a practical toolkit for optimizing acquisition and processing parameters for routine experiments aimed at detecting signals influenced by the hyperfine interaction. The implications of paramagnetic shift and line broadening are examined. With this endeavor, we wish to encourage non-expert users to consider the application of paramagnetic NMR to their systems.https://www.mdpi.com/2304-6740/12/1/15PCShyperfine couplingelectronic structure calculationsHSQCINEPTantiphase detection |
| spellingShingle | Leonardo Querci Letizia Fiorucci Enrico Ravera Mario Piccioli Paramagnetic Nuclear Magnetic Resonance: The Toolkit Inorganics PCS hyperfine coupling electronic structure calculations HSQC INEPT antiphase detection |
| title | Paramagnetic Nuclear Magnetic Resonance: The Toolkit |
| title_full | Paramagnetic Nuclear Magnetic Resonance: The Toolkit |
| title_fullStr | Paramagnetic Nuclear Magnetic Resonance: The Toolkit |
| title_full_unstemmed | Paramagnetic Nuclear Magnetic Resonance: The Toolkit |
| title_short | Paramagnetic Nuclear Magnetic Resonance: The Toolkit |
| title_sort | paramagnetic nuclear magnetic resonance the toolkit |
| topic | PCS hyperfine coupling electronic structure calculations HSQC INEPT antiphase detection |
| url | https://www.mdpi.com/2304-6740/12/1/15 |
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