Two salts of the aromatic hydrocarbon decacyclene, {cryptand[2.2.2](Cs⁺)} (decacyclene^.−) (1) and {Bu₃MeP⁺}(decacyclene^.−) (2), were obtained. In both salts, decacyclene^.− radical anions formed channels occupied by cations. However, corrugated hexagonal decacyclene^.− layers could be outlined in the crystal structure of 1 with several side‐by‐side C⋅⋅⋅C approaches. The decacyclene^.− radical anions showed strong distortion in both salts, deviating from the C₃ symmetry owing to the repulsion of closely arranged hydrogen atoms and the Jahn‐Teller effect. Radical anions showed intense unusually low energy absorption in the IR‐range, with maxima at 4800 and 6000 cm⁻¹. According to the carculations, these bands can originate from the SOMO‐LUMO+1 and SOMO‐LUMO+2 transitions, respectively. Radical anions exhibited a S=1/2 spin state, with an effective magnetic moment of 1.72 μ_B at 300 K. The decacyclene^.− spin antiferromagnetically coupled with a Weiss temperature of −11 K. Spin ordering was not observed down to 1.9 K owing to spin frustration in the hexagonal decacyclene^.− layers.

中文翻译：

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在六边形网络中显示出很强的低能量分子内吸收和自旋的磁耦合的十环烯自由基阴离子。

获得了芳香族烃十环素的两种盐，{cryptand [2.2.2]（Cs ⁺）}（十环烯^.-）（1）和{Bu ₃ MeP ⁺ }（十环烯^.-）（2）。在这两种盐，十环烯^.-形成自由基阴离子信道占用的由阳离子。然而，波纹状六边形十环烯^.-层可在的晶体结构进行概述1与几个并排侧C⋅⋅⋅C接近。十环烯^.-自由基阴离子在两种盐中均表现出强烈的畸变，与C ₃背离由于紧密排列的氢原子的排斥和Jahn-Teller效应而产生对称性。自由基阴离子在IR范围内显示出异常低的能量吸收，最大值在4800和6000 cm ^-1处。根据计算，这些频段可以分别来自SOMO‐LUMO + 1和SOMO‐LUMO + 2过渡。自由基阴离子显示出小号= 1 /自旋状态，以1.72μ的有效磁矩_乙在300K的十环烯^.-自旋反铁磁性耦合以-11 K.自旋排序的魏斯温度，未观察到降低到1.9ķ由于六方十环^.-层中的旋转受阻。