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CC-BY - Uznanie autorstwaPressure-Dependent Structural and Luminescence Properties of 1-(Pyren-1-yl)but-2-yn-1-one
| cris.lastimport.scopus | 2024-02-12T20:17:09Z |
| dc.abstract.en | The crystal structure of 1-(pyren-1-yl)but-2-yn-1-one (1a, a polynuclear aromatic hydrocarbon displaying enhanced luminescence in the solid state, has been re-determined at several pressures ranging from atmospheric up to 3 GPa using a Diamond Anvil Cell (DAC). These experiments were augmented by periodic DFT calculations at pressures up to 4.4 GPa. UV-Vis fluorescence of 1a at non-ambient pressures has also been investigated. The crystal structure consists of infinite -stacks of anti-parallel 1a molecules with discernible dimers, which may exemplify aggregates formed by pyrene derivatives in solution and thin films, and is predominantly stabilized by dispersion. The average inter-planar distance between individual molecules within -stacks decreases with pressure in the investigated range. This results in piezochromic properties of 1a: a red-shift of sample color, as well as a bathochromic shift of fluorescence with pressure (by ca. 100 nm at 3.5 GPa). Two-component fluorescence spectra support the hypothesis that at l east two types of excimers are involved in the electronic excitation processes in crystalline 1a. |
| dc.affiliation | Uniwersytet Warszawski |
| dc.contributor.author | Gajda, Roman |
| dc.contributor.author | Makal, Anna |
| dc.contributor.author | Krzeszczakowska, Joanna |
| dc.date.accessioned | 2024-01-25T17:34:02Z |
| dc.date.available | 2024-01-25T17:34:02Z |
| dc.date.copyright | 2019-03-20 |
| dc.date.issued | 2019 |
| dc.description.accesstime | AT_PUBLICATION |
| dc.description.finance | Nie dotyczy |
| dc.description.number | 6 |
| dc.description.version | FINAL_PUBLISHED |
| dc.description.volume | 24 |
| dc.identifier.doi | 10.3390/MOLECULES24061107 |
| dc.identifier.issn | 1420-3049 |
| dc.identifier.uri | https://repozytorium.uw.edu.pl//handle/item/116982 |
| dc.language | eng |
| dc.pbn.affiliation | chemical sciences |
| dc.relation.ispartof | Molecules |
| dc.relation.pages | 1107 |
| dc.rights | CC-BY |
| dc.sciencecloud | nosend |
| dc.subject.en | polynuclear aromatic hydrocarbon |
| dc.subject.en | π-stacking |
| dc.subject.en | high-pressure |
| dc.subject.en | diamond anvil cell |
| dc.subject.en | X-ray structure determination |
| dc.subject.en | intermolecular interaction energy |
| dc.subject.en | luminescence |
| dc.title | Pressure-Dependent Structural and Luminescence Properties of 1-(Pyren-1-yl)but-2-yn-1-one |
| dc.type | JournalArticle |
| dspace.entity.type | Publication |