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A Stable Aluminum Tris(dithiolene) Triradical
- Source :
- Journal of the American Chemical Society; 20240101, Issue: Preprints
- Publication Year :
- 2024
-
Abstract
- A stable aluminum tris(dithiolene) triradical (3) was experimentally realized through a low-temperature reaction of the sterically demanding lithium dithiolene radical (2) with aluminum iodide. Compound 3was characterized by single-crystal X-ray diffraction, UV–vis and EPR spectroscopy, SQUID magnetometry, and theoretical computations. The quartet ground state of triradical 3has been unambiguously confirmed by variable-temperature continuous wave EPR experiments and SQUID magnetometry. Both SQUID magnetometry and broken-symmetry DFT computations reveal a small doublet–quartet energy gap [ΔEDQ= 0.18 kcal mol–1(SQUID); ΔEDQ= 0.14 kcal mol–1(DFT)]. The pulsed EPR experiment (electron spin echo envelop modulation) provides further evidence for the interaction of these dithiolene-based radicals with the central aluminum nucleus of 3.
Details
- Language :
- English
- ISSN :
- 00027863 and 15205126
- Issue :
- Preprints
- Database :
- Supplemental Index
- Journal :
- Journal of the American Chemical Society
- Publication Type :
- Periodical
- Accession number :
- ejs66514835
- Full Text :
- https://doi.org/10.1021/jacs.4c05631