Academic Journal
Muon spectroscopy of a 12-phosphatetraphene with extremely efficient radical trapping properties
| العنوان: | Muon spectroscopy of a 12-phosphatetraphene with extremely efficient radical trapping properties |
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| المؤلفون: | Shigekazu Ito, Kohei Yasuda, Keisuke Ishihara, Victoria L. Karner, Kenji M. Kojima, Iain McKenzie |
| المصدر: | Scientific Reports, Vol 15, Iss 1, Pp 1-11 (2025) |
| بيانات النشر: | Nature Portfolio, 2025. |
| سنة النشر: | 2025 |
| المجموعة: | LCC:Medicine LCC:Science |
| مصطلحات موضوعية: | Muon, Radicals, Heterocycles, Isotope effects, Reaction kinetics, DFT calculations, Medicine, Science |
| الوصف: | Abstract This paper describes muon spin spectroscopy studies of 12-phosphatetraphene stabilized by a peri-trifluoromethyl group and a meso-aryl substituent. Even though the prepared solution in tetrahydrofuran (THF) was quite dilute (0.060 M) for transverse-field muon spin rotation (TF-µSR) measurements, the π-extended heavier congener of tetraphene presented a pair of signals due to a muoniated radical from which the muon hyperfine coupling constant (hfc) was determined. This muoniated radical was produced by the diffusion-controlled regioselective addition of muonium (Mu = [µ+e–]) to the sp2-hybridized phosphorus atom. The assignment of the muoniated radical structure was confirmed by observing a resonance due to the I = 1/2 (31P) nucleus in a muon (avoided) level-crossing resonance (µLCR) spectrum. The 31P hfc was determined from the resonance position, and a comparison with the value obtained from density functional theory (DFT) calculations indicated that the radical retained a flat π-delocalized tetracyclic skeleton. This higher energy structure is hypothesized to be preferable because of the increased zero-point energy of the light mass of the muon. The findings of this study could be fruitful in developing novel spin-functional materials featuring efficient radical capture and π-delocalized paramagnetic molecular systems. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 2045-2322 |
| Relation: | https://doaj.org/toc/2045-2322 |
| DOI: | 10.1038/s41598-024-84611-w |
| URL الوصول: | https://doaj.org/article/d00804ffcbd6437b866ebb8665d664af |
| رقم الانضمام: | edsdoj.00804ffcbd6437b866ebb8665d664af |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 20452322 |
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| DOI: | 10.1038/s41598-024-84611-w |