期刊
AUSTRALIAN JOURNAL OF CHEMISTRY
卷 63, 期 12, 页码 1627-1633出版社
CSIRO PUBLISHING
DOI: 10.1071/CH10280
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A new corannulene-based curved neutral pi-radical bearing a tert-butylnitroxide moiety has been synthesized and isolated as an air-stable solid. Direct attachment of the spin centre to the corannulene skeleton gives rise to an extensive spin-delocalization onto the curved pi-conjugated system from the nitroxide moiety. This salient electronic feature in the curved neutral radical system and its high stability have allowed us to find a dynamic electronic-spin behaviour induced by the temperature-dependent conformational change of the nitroxide moiety, as studied by liquid-phase variable-temperature electron spin resonance and H-1 electron-nuclear double resonance and electron-nuclear-nuclear triple resonance spectroscopies with the help of density functional theory calculations.
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