ISOMERIZATIONS OF THE FULLERENES

被引：53

作者：

FOWLER, PW ^{[1
]}

MANOLOPOULOS, DE ^{[1
]}

RYAN, RP ^{[1
]}

机构：

[1] UNIV NOTTINGHAM,DEPT CHEM,NOTTINGHAM NG7 2RD,ENGLAND

来源：

CARBON | 1992年 / 30卷 / 08期

关键词：

CARBON; FULLERENE; ISOMERIZATION; CHIRALITY; SYMMETRY;

D O I：

10.1016/0008-6223(92)90065-5

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 Stone-Wales (pyracylene) rearrangement is a hypothetical mechanism for interconversion of fullerene isomers, accounting for mobility of the pentagons on the surfaces of these clusters. Two versions of the transformation, involving patches of 4 and 12 rings, respectively, can be defined. Energetic and group-theoretical aspects of the transformation are discussed, symmetry-based selection rules devised, and complete isomerisation maps presented for small fullerenes (C20 to C40) and isolated-pentagon isomers (C78 to C88). Fullerenes that self-racemise under this transformation include D2 C28. Limitations on the usefulness of this mechanism as a means of rationalising experimental isomer distributions are briefly discussed.

引用

页码：1235 / 1250

页数：16

共 30 条

[1]

[Anonymous], 1972, ADV INORG CHEM

[2] A HUECKEL METHOD STUDY OF 74 CARBON C-60 CLUSTERS [J].