title: A Stable, Soluble, and Crystalline Supramolecular System with a Triplet Ground State.
abstract: A supramolecular complex was constructed by encapsulation of a3O2molecule inside an open-cage C60derivative. Its single-crystal X-ray diffraction analysis revealed the presence of the3O2at the center of the fullerene cage. The CV measurements suggested that unprecedented dehydrogenation was promoted by the encapsulated3O2after two-electron reduction. The ESR measurements displayed the triplet character as well as the anisotropy of the3O2. 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 exited1O2generated 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.
authors.affiliation: Institute for Chemical Research, Kyoto University, Uji, Kyoto, 611-0011, Japan.
authors.forename: Tsukasa
authors.initials: T
authors.lastname: Futagoishi
authors.affiliation: Institute for Chemical Research, Kyoto University, Uji, Kyoto, 611-0011, Japan.
authors.forename: Tomoko
authors.initials: T
authors.lastname: Aharen
authors.affiliation: Graduate School of Human and Environmental Sciences, Kyoto University, Kyoto, 606-8501, Japan.|Institute for Liberal Arts and Sciences, Kyoto University, Kyoto, 606-8501, Japan.
authors.forename: Tatsuhisa
authors.initials: T
authors.lastname: Kato
authors.affiliation: Graduate School of Human and Environmental Sciences, Kyoto University, Kyoto, 606-8501, Japan.
authors.forename: Azusa
authors.initials: A
authors.lastname: Kato
authors.affiliation: Institute for Chemical Research, Kyoto University, Uji, Kyoto, 611-0011, Japan.
authors.forename: Toshiyuki
authors.initials: T
authors.lastname: Ihara
authors.affiliation: Materials Research Center for Element Strategy, Tokyo Institute of Technology, 4259 Nagatsuta, Midori-ku, Yokohama, 226-8503, Japan.
authors.forename: Tomofumi
authors.initials: T
authors.lastname: Tada
authors.affiliation: Institute for Chemical Research, Kyoto University, Uji, Kyoto, 611-0011, Japan.
authors.forename: Michihisa
authors.initials: M
authors.lastname: Murata
authors.affiliation: Institute for Chemical Research, Kyoto University, Uji, Kyoto, 611-0011, Japan.
authors.forename: Atsushi
authors.initials: A
authors.lastname: Wakamiya
authors.affiliation: Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto, 615-8510, Japan.
authors.forename: Hiroshi
authors.initials: H
authors.lastname: Kageyama
authors.affiliation: Institute for Chemical Research, Kyoto University, Uji, Kyoto, 611-0011, Japan.
authors.forename: Yoshihiko
authors.initials: Y
authors.lastname: Kanemitsu
authors.affiliation: Institute for Chemical Research, Kyoto University, Uji, Kyoto, 611-0011, Japan.
authors.forename: Yasujiro
authors.identifier: 0000-0003-0287-0299
authors.initials: Y
authors.lastname: Murata
keywords: EPR spectroscopy; open-cage C60; oxygen; structure elucidation; supramolecular chemistry