Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies
The term matere bond has been recently used to refer to an attractive noncovalent interaction between any element of group 7 acting as an electrophile and any atom (or group of atoms) acting as a nucleophile. The utilization of metals such as σ-hole donors is starting to attract the attention of the...
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-10-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/19/6597 |
| _version_ | 1797477842357846016 |
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| author | Rosa M. Gomila Antonio Frontera |
| author_facet | Rosa M. Gomila Antonio Frontera |
| author_sort | Rosa M. Gomila |
| collection | DOAJ |
| description | The term matere bond has been recently used to refer to an attractive noncovalent interaction between any element of group 7 acting as an electrophile and any atom (or group of atoms) acting as a nucleophile. The utilization of metals such as σ-hole donors is starting to attract the attention of the scientific community. In this manuscript, a comparison between matere bonds and well-known σ-hole interactions (halogen and chalcogen bonds) is carried out using three X-ray structures, retrieved from the Cambridge structural database (CSD), and density functional theory calculations (DFT). The novelty of this work resides in the utilization of a neutral Re(VII) system as the matere bond donor and multivalent chalcogen and halogen donors. In fact, as far as our knowledge extends, the description of σ-hole interactions in Se(VI) is unprecedented in the literature. The σ-hole interactions in Re(VII), Se(VI) and Cl(VII) electron acceptors are analyzed and compared using several computational tools. |
| first_indexed | 2024-03-09T21:23:29Z |
| format | Article |
| id | doaj.art-32a40612e9c945e2af11522275d5db2a |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T21:23:29Z |
| publishDate | 2022-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-32a40612e9c945e2af11522275d5db2a2023-11-23T21:14:02ZengMDPI AGMolecules1420-30492022-10-012719659710.3390/molecules27196597Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case StudiesRosa M. Gomila0Antonio Frontera1Department of Chemistry, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma de Mallorca, Baleares, SpainDepartment of Chemistry, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma de Mallorca, Baleares, SpainThe term matere bond has been recently used to refer to an attractive noncovalent interaction between any element of group 7 acting as an electrophile and any atom (or group of atoms) acting as a nucleophile. The utilization of metals such as σ-hole donors is starting to attract the attention of the scientific community. In this manuscript, a comparison between matere bonds and well-known σ-hole interactions (halogen and chalcogen bonds) is carried out using three X-ray structures, retrieved from the Cambridge structural database (CSD), and density functional theory calculations (DFT). The novelty of this work resides in the utilization of a neutral Re(VII) system as the matere bond donor and multivalent chalcogen and halogen donors. In fact, as far as our knowledge extends, the description of σ-hole interactions in Se(VI) is unprecedented in the literature. The σ-hole interactions in Re(VII), Se(VI) and Cl(VII) electron acceptors are analyzed and compared using several computational tools.https://www.mdpi.com/1420-3049/27/19/6597matere bondchalcogen bondhalogen bondX-ray structuresDFT calculations |
| spellingShingle | Rosa M. Gomila Antonio Frontera Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies Molecules matere bond chalcogen bond halogen bond X-ray structures DFT calculations |
| title | Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies |
| title_full | Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies |
| title_fullStr | Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies |
| title_full_unstemmed | Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies |
| title_short | Matere Bonds vs. Multivalent Halogen and Chalcogen Bonds: Three Case Studies |
| title_sort | matere bonds vs multivalent halogen and chalcogen bonds three case studies |
| topic | matere bond chalcogen bond halogen bond X-ray structures DFT calculations |
| url | https://www.mdpi.com/1420-3049/27/19/6597 |
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