Counter-ion effects on the spin density distribution in triplet aromatic dianions

Broekhoven, J. A. M. van; Willigen, H. van; Boer, E. de

doi:10.1080/00268976800100861

Cited by 13 publications

(1 citation statement)

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“…The magnetic properties of 1 are also studied. Although the crystal structures of several decacyclene salts with solvated alkali‐metal cations are already known and the magnetic properties of some decacyclene anions generated in solution have been studied by EPR, the optical and magnetic properties of decacyclene .− in the solid state have not been investigated.…”

Section: Introductionmentioning

confidence: 99%

Decacyclene Radical Anions Showing Strong Low‐energy Intramolecular Absorption and Magnetic Coupling of Spins in a Hexagonal Network

Konarev

Kuzmin

Khasanov

et al. 2020

Chemistry An Asian Journal

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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 μB 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.

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Section: Introductionmentioning

confidence: 99%