MOLECULAR-STRUCTURE OF THE FULLERIDE ANIONS IN SUPERCONDUCTING K3C60 AND INSULATING K6C60 DETERMINED BY POWDER NEUTRON-DIFFRACTION

被引：25

作者：

ALLEN, KM ^{[1
]}

DAVID, WIF ^{[1
]}

FOX, JM ^{[1
]}

IBBERSON, RM ^{[1
]}

ROSSEINSKY, MJ ^{[1
]}

机构：

[1] UNIV OXFORD,INORGAN CHEM LAB,OXFORD OX1 3QR,ENGLAND

来源：

CHEMISTRY OF MATERIALS | 1995年 / 7卷 / 04期

关键词：

D O I：

10.1021/cm00052a023

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 structures of K3C60 and K6C60 are refined by Rietveld analysis of high-resolution time-of-flight powder neutron diffraction data. Bond length and angle constraints are not necessary to produce chemically sensible molecular structures for the fulleride anions. The results suggest loss of the distinction between single and double bonds on the fullerene molecule on reduction and are consistent with recent ab initio calculations. A simple chemical interpretation of the observed trends is given.

引用

页码：764 / 770

页数：7