title: Orientation of a Water Molecule: Effects on Electronic Nature of the C59N Cage.
abstract: A hydrogen-bonding network is a key impelling force for an assembly in bulk water. The fullerene cage can incarcerate a water molecule without hydrogen-bonding. Herein, we focused on spin system H2O@C59N·. The1H NMR relaxation time of entrapped H2O was significantly reduced by the paramagnetic effect. Interestingly, the electron affinity and ionization energy were suggested to vary depending on the orientation of entrapped H2O owing to the degree of the partial charge transfer from entrapped H2O to C59N·.
authors.affiliation: Institute for Chemical Research, Kyoto University , Uji, Kyoto 611-0011, Japan.
authors.forename: Yoshifumi
authors.initials: Y
authors.lastname: Hashikawa
authors.affiliation: Institute for Chemical Research, Kyoto University , Uji, Kyoto 611-0011, Japan.
authors.forename: Michihisa
authors.identifier: 0000-0002-5479-2993
authors.initials: M
authors.lastname: Murata
authors.affiliation: Institute for Chemical Research, Kyoto University , Uji, Kyoto 611-0011, Japan.
authors.forename: Atsushi
authors.identifier: 0000-0003-1430-0947
authors.initials: A
authors.lastname: Wakamiya
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