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
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
收藏
页码:163 / 169
页数:7
相关论文
共 35 条
[21]  
MCMASTER WH, 1969, COMBINATION XRAY CRO
[22]   Vibrational spectroscopy of endohedral dimetallofullerene, La2@C80 [J].
Moriyama, M ;
Sato, T ;
Yabe, A ;
Yamamoto, K ;
Kobayashi, K ;
Nagase, S ;
Wakahara, T ;
Akasaka, T .
CHEMISTRY LETTERS, 2000, (05) :524-525
[23]   THE IONIZATION ENERGIES AND ELECTRON-AFFINITIES OF ENDOHEDRAL METALLOFULLERENES MC(82) (M=SC, Y, LA) - DENSITY-FUNCTIONAL CALCULATIONS [J].
NAGASE, S ;
KOBAYASHI, K .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1994, (16) :1837-1838
[24]   THEORETICAL-STUDY OF THE LANTHANIDE FULLERENE CEC82 - COMPARISON WITH SCC82, YC82 AND LAC82 [J].
NAGASE, S ;
KOBAYASHI, K .
CHEMICAL PHYSICS LETTERS, 1994, 228 (1-3) :106-110
[25]   METALLOFULLERENES MC82 (M=SC, Y, AND LA) - A THEORETICAL-STUDY OF THE ELECTRONIC AND STRUCTURAL ASPECTS [J].
NAGASE, S ;
KOBAYASHI, K .
CHEMICAL PHYSICS LETTERS, 1993, 214 (01) :57-63
[26]  
Nagase S, 1998, J COMPUT CHEM, V19, P232, DOI 10.1002/(SICI)1096-987X(19980130)19:2<232::AID-JCC16>3.0.CO
[27]  
2-J
[28]   Determination of the cage structure of Sc@C82 by synchrotron powder diffraction [J].
Nishibori, E ;
Takata, M ;
Sakata, M ;
Inakuma, M ;
Shinohara, H .
CHEMICAL PHYSICS LETTERS, 1998, 298 (1-3) :79-84
[29]   AN XAFS STUDY OF METALLOFULLERENE LA-AT-C-82 [J].
NOMURA, M ;
NAKAO, Y ;
KIKUCHI, K ;
ACHIBA, Y .
PHYSICA B, 1995, 208 (1-4) :539-540
[30]   THEORETICAL X-RAY ABSORPTION FINE-STRUCTURE STANDARDS [J].
REHR, JJ ;
DELEON, JM ;
ZABINSKY, SI ;
ALBERS, RC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (14) :5135-5140