Structure of endohedral dimetallofullerene Sc-2@C-84

被引：130

作者：

Takata, M

Nishibori, E

Umeda, B

Sakata, M

Yamamoto, E

Shinohara, H

机构：

[1] NAGOYA UNIV,DEPT APPL PHYS,NAGOYA,AICHI 46401,JAPAN

[2] NAGOYA UNIV,DEPT CHEM,NAGOYA,AICHI 46401,JAPAN

来源：

PHYSICAL REVIEW LETTERS | 1997年 / 78卷 / 17期

关键词：

D O I：

10.1103/PhysRevLett.78.3330

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The endohedral nature of dimetallfullerene Sc-2@C-84 is determined for the first time by a method which is a combination of the maximum entropy method (MEM) and the Rietveld refinement from synchrotron Powder diffraction data, The obtained. MEM charge density clearly shows the D-2d-symmetry cage structure, indicating the rotation of SC2@C-84 molecules in. solid stale: is almost quenched even at room temperature. From the MEM charge density, the encapsulated Sc-Sc distance and the nearest Sc-C distance are 3.9(1) and 2.4(1) Angstrom, respectively.

引用

页码：3330 / 3333

页数：4

共 22 条

[1] PREPARATION AND STRUCTURE OF CRYSTALS OF THE METALLOFULLERENE SC-2-AT-C-84
BEYERS, R
KIANG, CH
JOHNSON, RD
SALEM, JR
DEVRIES, MS
YANNONI, CS
BETHUNE, DS
DORN, HC
BURBANK, P
HARICH, K
STEVENSON, S
[J]. NATURE, 1994, 370 (6486) : 196 - 199
[2] A BAYESIAN STATISTICAL-THEORY OF THE PHASE PROBLEM .1. A MULTICHANNEL MAXIMUM-ENTROPY FORMALISM FOR CONSTRUCTING GENERALIZED JOINT PROBABILITY-DISTRIBUTIONS OF STRUCTURE FACTORS
BRICOGNE, G
[J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1988, 44 : 517 - 545
[3] FULLERENES WITH METALS INSIDE
CHAI, Y
GUO, T
JIN, CM
HAUFLER, RE
CHIBANTE, LPF
FURE, J
WANG, LH
ALFORD, JM
SMALLEY, RE
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (20) : 7564 - 7568
[4] ELECTRON-DENSITY IMAGES FROM IMPERFECT DATA BY ITERATIVE ENTROPY MAXIMIZATION
COLLINS, DM
[J]. NATURE, 1982, 298 (5869) : 49 - 51
[5] ELECTRON-PARAMAGNETIC RESONANCE STUDIES OF LANTHANUM-CONTAINING C82
JOHNSON, RD
DEVRIES, MS
SALEM, J
BETHUNE, DS
YANNONI, CS
[J]. NATURE, 1992, 355 (6357) : 239 - 240
[6] KIKUCHI K, 1994, RECENT ADV CHEM PHYS, V1, P1300
[7] MEED - A PROGRAM PACKAGE FOR ELECTRON-DENSITY-DISTRIBUTION CALCULATION BY THE MAXIMUM-ENTROPY METHOD
KUMAZAWA, S
KUBOTA, Y
TAKATA, M
SAKATA, M
ISHIBASHI, Y
[J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1993, 26 : 453 - 457
[8] THEORETICAL-STUDY OF THE DIMETALLOFULLERENE SC-2-AT-C-84
NAGASE, S
KOBAYASHI, K
[J]. CHEMICAL PHYSICS LETTERS, 1994, 231 (2-3) : 319 - 324
[9] Endohedral metallofullerenes: New spherical cage molecules with interesting properties
Nagase, S
Kobayashi, K
Akasaka, T
[J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1996, 69 (08) : 2131 - 2142
[10] MODEL-FREE SEARCH FOR EXTRA-FRAMEWORK CATIONS IN ZEOLITES USING POWDER DIFFRACTION
PAPOULAR, RJ
COX, DE
[J]. EUROPHYSICS LETTERS, 1995, 32 (04): : 337 - 342

← 1 2 3 →