A Stable, Soluble, and Crystalline Supramolecular System with a Triplet Ground State. (16th March 2017)

• Record Type: Journal Article
• Authors: Futagoishi, Tsukasa; Aharen, Tomoko; Kato, Tatsuhisa; Kato, Azusa; Ihara, Toshiyuki; Tada, Tomofumi; Murata, Michihisa; Wakamiya, Atsushi; Kageyama, Hiroshi; Kanemitsu, Yoshihiko; Murata, Yasujiro
• Is Part Of: Angewandte Chemie. Volume 129:Number 15(2017)
• Page Start: 4325
• Page End: 4329
• Publication Date: 2017-03-16
• Subjects: EPR-Spektroskopie -- Offener C60-Käfig -- Sauerstoff -- Strukturaufklärung -- Supramolekulare Chemie; Chemistry -- Periodicals; 540
• DOI: 10.1002/ange.201701212
• Languages: English
• ISSNs: 0044-8249

Abstract

Abstract: A supramolecular complex was constructed by encapsulation of a 3 O2 molecule inside an open‐cage C60 derivative. Its single‐crystal X‐ray diffraction analysis revealed the presence of the 3 O2 at the center of the fullerene cage. The CV measurements suggested that unprecedented dehydrogenation was promoted by the encapsulated 3 O2 after two‐electron reduction. The ESR measurements displayed the triplet character as well as the anisotropy of the 3 O2 . Additionally, the SQUID measurements also demonstrated the paramagnetic behavior above 3 K without an antiferromagnetic transition. Upon photoirradiation with visible light, three phosphorescent bands at the NIR region were observed, arising from the exited 1 O2 generated by self‐sensitization with the outer cage, whose lifetimes were not affected by the environments. These studies confirmed that the complex is a crystalline triplet system with incompatible "high spin density" but "small interspin interaction" properties.