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CC-BY - Uznanie autorstwaThe Preparation, Characterization, and Pressure-Influenced Dihydrogen Interactions of Tetramethylphosphonium Borohydride
| dc.abstract.en | Tetramethylphosphonium borohydride was synthesized via an ion metathesis reaction in a weakly-coordinating aprotic environment. [(CH3)4P]BH4, in contrast to related [(CH3)4N]+ compounds which tend to crystallize in a tetragonal system, adopts the distorted wurtzite structure (P63mc), resembling some salts containing analogous ions of As and Sb. [(CH3)4P]BH4 decomposes thermally in several endo- and exothermic steps above ca. 240 °C. This renders it more stable than [(CH3)4N]BH4, with a lowered temperature of decomposition onset by ca. 20 °C and solely exothermic processes observed. Raman spectra measured at the 0–10 GPa range indicate that a polymorphic transition occurs within 0.53–1.86 GPa, which is further confirmed by the periodic DFT calculations. The latter suggests a phase transition around 0.8 GPa to a high-pressure phase of [(CH3)4N]BH4. The P63mc phase seems to be destabilized under high pressure by relatively closer dihydrogen interactions, including the C–H…H–C contacts. |
| dc.affiliation | Uniwersytet Warszawski |
| dc.contributor.author | Jaroń, Tomasz |
| dc.date.accessioned | 2024-01-26T10:31:13Z |
| dc.date.available | 2024-01-26T10:31:13Z |
| dc.date.copyright | 2023-07-29 |
| dc.date.issued | 2023 |
| dc.description.accesstime | AT_PUBLICATION |
| dc.description.finance | Nie dotyczy |
| dc.description.number | 15 |
| dc.description.version | FINAL_PUBLISHED |
| dc.description.volume | 16 |
| dc.identifier.doi | 10.3390/MA16155334 |
| dc.identifier.issn | 1996-1944 |
| dc.identifier.uri | https://repozytorium.uw.edu.pl//handle/item/122887 |
| dc.identifier.weblink | https://www.mdpi.com/1996-1944/16/15/5334/pdf |
| dc.language | eng |
| dc.pbn.affiliation | chemical sciences |
| dc.relation.ispartof | Materials |
| dc.relation.pages | 5334 |
| dc.rights | CC-BY |
| dc.sciencecloud | nosend |
| dc.subject.en | borohydrides |
| dc.subject.en | crystal structure |
| dc.subject.en | dihydrogen interactions |
| dc.subject.en | high pressure chemistry |
| dc.subject.en | tetramethylphosphonium |
| dc.title | The Preparation, Characterization, and Pressure-Influenced Dihydrogen Interactions of Tetramethylphosphonium Borohydride |
| dc.type | JournalArticle |
| dspace.entity.type | Publication |