在二并七苯向七苯的环化逆反应中检测二庚二烯基双自由基中间体。
Detection of diheptacendiyl diradical intermediate in the cycloreversion of diheptacene to heptacene.
作者信息
Wagner Marie S, Peisert Heiko, Chassé Thomas, Bettinger Holger F
机构信息
Institute of Organic Chemistry, University of Tübingen, Auf der Morgenstelle 18, 72076 Tübingen, Germany.
Institute of Physical and Theoretical Chemistry, University of Tübingen, Auf der Morgenstelle 18, 72076 Tübingen, Germany.
出版信息
Chem Commun (Camb). 2024 Aug 6;60(64):8451-8453. doi: 10.1039/d4cc03354j.
Cycloreversion of diheptacenes, the covalently bound dimers of heptacene, in the solid state produces heptacene. In addition, diheptacendiyl diradical can be detected by ESR spectroscopy. The diradical has a small singlet-triplet energy gap of -0.02 kJ mol (-4.8 × 10 kcal mol) in favor of the singlet state and is persistent in solid heptacene.
并七苯的环反转（并七苯的共价键合二聚体）在固态下会生成并七苯。此外，通过电子自旋共振光谱法可以检测到并七苯二基双自由基。该双自由基具有-0.02 kJ/mol（-4.8×10⁻³ kcal/mol）的小单重态-三重态能隙，有利于单重态，并且在固态并七苯中具有持久性。
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