Academic Journal
Core-Hole Excitation Spectra of the Oxides and Hydrates of Fullerene C 60 and Azafullerene C 59 N
| العنوان: | Core-Hole Excitation Spectra of the Oxides and Hydrates of Fullerene C 60 and Azafullerene C 59 N |
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| المؤلفون: | Xiong Li, Shuyi Wang, Jingdong Guo, Ziye Wu, Changrui Guo, Shaohong Cai, Mingsen Deng |
| المصدر: | Molecules, Vol 29, Iss 3, p 609 (2024) |
| بيانات النشر: | MDPI AG |
| سنة النشر: | 2024 |
| المجموعة: | Directory of Open Access Journals: DOAJ Articles |
| مصطلحات موضوعية: | azafullerene, oxide, hydrate, NEXAFS, XES, XPS shake-up, Organic chemistry, QD241-441 |
| الوصف: | The interaction of fullerenes and their derivatives with environmental molecules such as oxygen or water was crucial for the rational design of low-dimensional materials and devices. In this paper, the near-edge X-ray absorption fine structure (NEXAFS), X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy (XPS) shake-up satellites were employed to distinguish the oxides and hydrates of the fullerene C 60 and azafullerene C 59 N families. The study includes various isomers, such as the open [5,6] and closed [6,6] isomers of C 60 O, C 60 H(OH), C 60 -O-C 60 , C 60 H-O-C 60 H, C 59 N(OH) and C 59 N-O-C 59 N, based on density functional theory. These soft X-ray spectra offered comprehensive insights into the molecular orbitals of these azafullerene molecular groups. The oxygen K -edge NEXAFS, carbon and oxygen K -edge XPS shake-up satellite spectra provided valuable tools for distinguishing oxides or hydrates of fullerene C 60 and azafullerene C 59 N. Our findings could significantly benefit the development of fullerene functional molecular materials and expand the application scope of soft X-ray spectroscopy as a molecular fingerprinting tool for the fullerene family. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| تدمد: | 1420-3049 |
| Relation: | https://www.mdpi.com/1420-3049/29/3/609; https://doaj.org/toc/1420-3049; https://doaj.org/article/8f5eb4d6192b47b3ac4523863be83c2e |
| DOI: | 10.3390/molecules29030609 |
| الاتاحة: | https://doi.org/10.3390/molecules29030609 https://doaj.org/article/8f5eb4d6192b47b3ac4523863be83c2e |
| رقم الانضمام: | edsbas.722C3FD5 |
| قاعدة البيانات: | BASE |
Full Text Finder | تدمد: | 14203049 |
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| DOI: | 10.3390/molecules29030609 |