1,3-二苯基-7-(呋喃-2-基)-1,4-二氢-1,2,4-苯并三嗪-4-基中的自旋三重激子。
Spin-triplet excitons in 1,3-diphenyl-7-(fur-2-yl)-1,4-dihydro-1,2,4-benzotriazin-4-yl.
机构信息
Department of Chemistry, University of Cyprus, P.O. Box 20537, 1678, Nicosia, Cyprus.
出版信息
Chem Commun (Camb). 2013 Oct 7;49(77):8662-4. doi: 10.1039/c3cc44899a.
7-(Fur-2-yl)benzotriazinyl 1 is the first example of a hydrazyl radical dimer with a thermally accessible triplet state. The triplet exciton (|D| = 0.018 cm(-1), |E| = 0.001 cm(-1)) was observed by solid-state VT-EPR spectroscopy between 5 and 140 K. VT crystallography, DFT calculations and magnetic susceptibility studies reveal a strong temperature dependence of the intra-dimer exchange interaction with J/k ~ -254 + 0.0007T(2).
7-(呋喃-2-基)苯并三嗪基 1 是首例具有热可及三重态的自由基二聚体。通过固态 VT-EPR 光谱在 5 到 140 K 之间观察到三重态激子（|D| = 0.018 cm(-1)，|E| = 0.001 cm(-1)）。VT 晶体学、DFT 计算和磁化率研究表明，二聚体之间的内交换相互作用具有很强的温度依赖性，J/k~-254+0.0007T(2)。
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