Dynamics and magnetic properties of NO molecules encapsulated in open-cage fullerene derivatives evidenced by low temperature heat capacity. Issue 17 (26th April 2021)

• Record Type: Journal Article
• Authors: Horii, Yoji; Suzuki, Hal; Miyazaki, Yuji; Nakano, Motohiro; Hasegawa, Shota; Hashikawa, Yoshifumi; Murata, Yasujiro
• Is Part Of: Physical chemistry chemical physics. Volume 23:Issue 17(2021)
• Page Start: 10251
• Page End: 10256
• Publication Date: 2021-04-26
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/d1cp00482d
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : Heat capacity analyses revealed dynamics and magnetic anisotropy of NO molecules confined in molecular cages. Abstract : Low-temperature heat capacity analyses for an NO-encapsulated fullerene derivative revealed (i) low-energy motion and (ii) strong magnetic anisotropy of the NO molecule due to its orbital angular momentum. The low-energy motion was attributed to reorientational motions of the NO molecules, in which only a small number ( n ∼ 0.04) of NO molecules were found to participate. The NO molecules were confirmed to be paramagnetic even at 1 K. Ab-initio calculation indicated that the magnetic properties of the NO unit strongly depended on its surroundings, allowing the conformation of the fullerene cage to be estimated.