A Stable Aluminum Tris(dithiolene) Triradical
收藏NIAID Data Ecosystem2026-05-02 收录
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https://figshare.com/articles/dataset/A_Stable_Aluminum_Tris_dithiolene_Triradical/25944618
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资源简介：
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 3 was characterized
by single-crystal X-ray diffraction, UV–vis and EPR spectroscopy,
SQUID magnetometry, and theoretical computations. The quartet ground
state of triradical 3 has 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.
创建时间：
2024-05-31
