Hydrogen Bonds with BF<sub>4</sub><sup>−</sup> Anion as a Proton Acceptor
The BF<sub>4</sub><sup>−</sup> anion is characterised by weak Lewis base properties; it is usually classified as a “non-coordinating anion”. The searches through the Cambridge Structural Database (CSD) were performed and it was found that the BF<sub>4</sub><sup...
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| Format: | Article |
| Language: | English |
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MDPI AG
2020-06-01
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| Series: | Crystals |
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| Online Access: | https://www.mdpi.com/2073-4352/10/6/460 |
| _version_ | 1797566435687399424 |
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| author | Sławomir J. Grabowski |
| author_facet | Sławomir J. Grabowski |
| author_sort | Sławomir J. Grabowski |
| collection | DOAJ |
| description | The BF<sub>4</sub><sup>−</sup> anion is characterised by weak Lewis base properties; it is usually classified as a “non-coordinating anion”. The searches through the Cambridge Structural Database (CSD) were performed and it was found that the BF<sub>4</sub><sup>−</sup> anion often occurs in crystal structures and it is involved in numerous intermolecular interactions; hydrogen bonds are the majority of them. The hydrogen bonds involving the BF<sub>4</sub><sup>−</sup> anion as a proton acceptor are closer to linearity with the increase of the strength of interaction that is in line with the tendency known for other hydrogen bonds. However, even for short contacts between the proton and the Lewis base centre, slight deviations from linearity occur. The MP2/aug-cc-pVTZ calculations on the BF<sub>4</sub><sup>−</sup>…HCN complex and on the BF<sub>4</sub><sup>−</sup>…(HCN)<sub>4</sub> cluster were also carried out to characterise corresponding C-H…F hydrogen bonds; such interactions often occur in crystal structures. |
| first_indexed | 2024-03-10T19:27:44Z |
| format | Article |
| id | doaj.art-739738619aab40748c19c02bfe1ed324 |
| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-03-10T19:27:44Z |
| publishDate | 2020-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Crystals |
| spelling | doaj.art-739738619aab40748c19c02bfe1ed3242023-11-20T02:25:25ZengMDPI AGCrystals2073-43522020-06-0110646010.3390/cryst10060460Hydrogen Bonds with BF<sub>4</sub><sup>−</sup> Anion as a Proton AcceptorSławomir J. Grabowski0Kimika Fakultatea, Euskal Herriko Unibertsitatea UPV/EHU, and Donostia International Physics Center (DIPC), P.K. 1072, 20080 San Sebastian, SpainThe BF<sub>4</sub><sup>−</sup> anion is characterised by weak Lewis base properties; it is usually classified as a “non-coordinating anion”. The searches through the Cambridge Structural Database (CSD) were performed and it was found that the BF<sub>4</sub><sup>−</sup> anion often occurs in crystal structures and it is involved in numerous intermolecular interactions; hydrogen bonds are the majority of them. The hydrogen bonds involving the BF<sub>4</sub><sup>−</sup> anion as a proton acceptor are closer to linearity with the increase of the strength of interaction that is in line with the tendency known for other hydrogen bonds. However, even for short contacts between the proton and the Lewis base centre, slight deviations from linearity occur. The MP2/aug-cc-pVTZ calculations on the BF<sub>4</sub><sup>−</sup>…HCN complex and on the BF<sub>4</sub><sup>−</sup>…(HCN)<sub>4</sub> cluster were also carried out to characterise corresponding C-H…F hydrogen bonds; such interactions often occur in crystal structures.https://www.mdpi.com/2073-4352/10/6/460tetrafluoroborate BF<sub>4</sub><sup>−</sup> anionhydrogen bondcrystal structuresboron centreenergy of interaction |
| spellingShingle | Sławomir J. Grabowski Hydrogen Bonds with BF<sub>4</sub><sup>−</sup> Anion as a Proton Acceptor Crystals tetrafluoroborate BF<sub>4</sub><sup>−</sup> anion hydrogen bond crystal structures boron centre energy of interaction |
| title | Hydrogen Bonds with BF<sub>4</sub><sup>−</sup> Anion as a Proton Acceptor |
| title_full | Hydrogen Bonds with BF<sub>4</sub><sup>−</sup> Anion as a Proton Acceptor |
| title_fullStr | Hydrogen Bonds with BF<sub>4</sub><sup>−</sup> Anion as a Proton Acceptor |
| title_full_unstemmed | Hydrogen Bonds with BF<sub>4</sub><sup>−</sup> Anion as a Proton Acceptor |
| title_short | Hydrogen Bonds with BF<sub>4</sub><sup>−</sup> Anion as a Proton Acceptor |
| title_sort | hydrogen bonds with bf sub 4 sub sup sup anion as a proton acceptor |
| topic | tetrafluoroborate BF<sub>4</sub><sup>−</sup> anion hydrogen bond crystal structures boron centre energy of interaction |
| url | https://www.mdpi.com/2073-4352/10/6/460 |
| work_keys_str_mv | AT sławomirjgrabowski hydrogenbondswithbfsub4subsupsupanionasaprotonacceptor |