Dynamics and magnetic properties of NO molecules encapsulated in open-cage fullerene derivatives evidenced by low temperature heat capacity

被引:4
|
作者
Horii, Yoji [1 ]
Suzuki, Hal [2 ]
Miyazaki, Yuji [3 ]
Nakano, Motohiro [3 ]
Hasegawa, Shota [4 ]
Hashikawa, Yoshifumi [4 ]
Murata, Yasujiro [4 ]
机构
[1] Nara Womens Univ, Fac Sci, Dept Chem, Nara 6308506, Japan
[2] Kindai Univ, Dept Chem, 3-4-1 Kowakae, Higashiosaka, Osaka 5778502, Japan
[3] Osaka Univ, Res Ctr Thermal & Entrop Sci, Grad Sch Sci, 1-1 Machikaneyama Cho, Toyonaka, Osaka 5600043, Japan
[4] Kyoto Univ, Inst Chem Res, Uji, Kyoto 6110011, Japan
关键词
SINGLE-MOLECULE; PARA-WATER; C-60; CRYSTAL;
D O I
10.1039/d1cp00482d
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 similar to 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.
引用
收藏
页码:10251 / 10256
页数:6
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