Structure of La2@C80 studied by La K-edge XAFS

被引：23

作者：

Kubozono, Y

Takabayashi, Y

Kashino, S

Kondo, M

Wakahara, T

Akasaka, T

Kobayashi, K

Nagase, S

Emura, S

Yamamoto, K

机构：

[1] Okayama Univ, Fac Sci, Dept Chem, Okayama 7008530, Japan

[2] Niigata Univ, Grad Sch Sci & Technol, Niigata 9502181, Japan

[3] Tokyo Metropolitan Univ, Grad Sch Sci, Dept Chem, Tokyo 1920397, Japan

[4] Osaka Univ, ISIR, Ibaraki, Osaka 5670047, Japan

[5] JAERI Tokai Works, Power Reactor & Nucl Fuel Dev Corp, Tokai, Ibaraki 3191100, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 335卷 / 3-4期

关键词：

D O I：

10.1016/S0009-2614(01)00048-3

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：

The structure of La-2@C-80 is studied by La K-edge XAFS from 40 to 295 K. The distances between the La atom and the first nearest C atoms have been determined to be 2.42(1) Angstrom at 40 K and 2.44(2) Angstrom at 295 K, and those between the La atom and the second nearest C atoms to be 2.97(2) Angstrom at 40 K and 2.98(3) Angstrom at 295 K. The La-La distance has been determined to be 3.90(1) Angstrom at 40 K and 3.88(2) Angstrom at 295 K. The temperature dependence of the mean-square displacement of La-C is also studied to get an insight into the dynamical behavior of two La atoms in the C-80 cage. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：163 / 169

页数：7

共 35 条

[1] SYNTHESIS OF THE FIRST ADDUCTS OF THE DIMETALLOFULLERENES LA-2-AT-C-80 AND SC-2-AT-C-84 BY ADDITION OF A DISILIRANE [J].

AKASAKA, T ;

NAGASE, S ;

KOBAYASHI, K ;

SUZUKI, T ;

KATO, T ;

KIKUCHI, K ;

ACHIBA, Y ;

YAMAMOTO, K ;

FUNASAKA, H ;

TAKAHASHI, T .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1995, 34 (19) :2139-2141

[2] C-13 and La-139 NMR studies of La-2@C-80: First evidence for circular motion of metal atoms in endohedral dimetallofullerenes [J].

Akasaka, T ;

Nagase, S ;

Kobayashi, K ;

Walchli, M ;

Yamamoto, K ;

Funasaka, H ;

Kako, M ;

Hoshino, T ;

Erata, T .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1997, 36 (15) :1643-1645

[3] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].

BECKE, AD .

PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100

[4] STUDY OF THE INTERMEDIATE JAHN-TELLER SYSTEM LA-2+ IN CAF2 BY RAMAN AND ELECTRON-PARAMAGNETIC-RES SPECTROSCOPY [J].

BILL, H ;

PILLA, O .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1984, 17 (18) :3263-3267

[5]

Frisch M.J., 1998, GAUSSIAN 98

[6] AN EXAFS STUDY ON THE LOCAL-STRUCTURE IN THE NA2CSC60 SUPERCONDUCTOR [J].

FUJIMOTO, T ;

KUBOZONO, Y ;

MAEDA, H ;

ISHIDA, H ;

FURUKAWA, Y ;

KASHINO, S ;

YAMAZAKI, H .

PHYSICA C, 1995, 249 (1-2) :5-11

[7]

HAY PJ, 1985, J CHEM PHYS, V82, P299, DOI [10.1063/1.448800, 10.1063/1.448799]

[8] Electronic structure of Eu@C60 studied by XANES and UV-VIS absorption spectra [J].

Inoue, T ;

Kubozono, Y ;

Kashino, S ;

Takabayashi, Y ;

Fujitaka, K ;

Hida, M ;

Inoue, M ;

Kanbara, T ;

Emura, S ;

Uruga, T .

CHEMICAL PHYSICS LETTERS, 2000, 316 (5-6) :381-386

[9] XAFS study on Eu@C60 [J].

Inoue, T ;

Kubozono, Y ;

Hiraoka, K ;

Mimura, K ;

Maeda, H ;

Kashino, S ;

Emura, S ;

Uruga, T ;

Nakata, Y .

JOURNAL OF SYNCHROTRON RADIATION, 1999, 6 :779-780

[10] NOTE ON THE K EXTENDED X-RAY ABSORPTION FINE-STRUCTURE DEBYE-WALLER FACTOR [J].

ISHII, T .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1992, 4 (40) :8029-8034

← 1 2 3 4 →