title: Synthesis, crystal structure and magnetic properties of o-carboranyl nitronyl nitroxide biradical: a prototype of a three-dimensional analogue of o-benzoquinodimethane.
abstract: We have designed and synthesised a new carborane derivative containing two nitronyl nitroxides. This molecule can be considered as a prototype of a three-dimensional analogue of o-benzoquinodimethane. The magnetic susceptibility of a crystalline sample revealed that this biradical possesses a weak antiferromagnetic interaction (theta = -1.05(4) K) and an ESR study in frozen matrix in the 5.4-104 K range gave an intramolecular antiferromagnetic interaction of -27(2) K. The synthesis, physical properties and DFT calculation result are also reported.
authors.affiliation: Department of Chemistry, The 21st Century COE Program, Aoyama Gakuin University, 5-10-1 Fuchinobe, Sagamihara, Kanagawa 229-8558, Japan.
authors.forename: Fumiyasu
authors.initials: F
authors.lastname: Iwahori
authors.forename: Yoshikazu
authors.initials: Y
authors.lastname: Nishikawa
authors.forename: Ken-ichiro
authors.initials: K
authors.lastname: Mori
authors.forename: Masahiro
authors.initials: M
authors.lastname: Yamashita
authors.forename: Jiro
authors.initials: J
authors.lastname: Abe