Structural determination of the hydrofullerene C60D36 by neutron diffraction

被引：13

作者：

Hall, LE ^{[1
]}

McKenzie, DR

Davis, RL

Attalla, MI

Vassallo, AM

机构：

[1] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia

[2] Australian Inst Nucl Sci & Engn, Menai, NSW 2234, Australia

[3] CSIRO, Div Coal & Energy Technol, N Ryde, NSW 2113, Australia

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 1998年 / 54卷

关键词：

D O I：

10.1107/S0108768198000093

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A mixture of C60D36 With 24.5 +/- 4.5% C-60 by weight has been analysed by neutron diffraction techniques. The diffraction data was converted to a reduced density function G(r) by Fourier transformation. The C60 component of the G(r) was subtracted out. This enabled a comparison for five molecular models of C60D36, With symmetries T, T-h, S-6 and two D-3d isomers, with the experimental G(r). This specimen of C60D36 was found to be best described by a T symmetry isomer, in agreement with C-13 NMR and IR data for C60H36 [Attalla et al. (1993). J. Phys. Chem. pp. 6329-6331].

引用

页码：345 / 350

页数：6

共 17 条

[1] PREPARATION OF HYDROFULLERENES BY HYDROGEN RADICAL-INDUCED HYDROGENATION [J].

ATTALLA, MI ;

VASSALLO, AM ;

TATTAM, BN ;

HANNA, JV .

JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (24) :6329-6331

[2]

ATTALLA MI, 1995, COMMUNICATION

[3] A PREDICTION OF THE STRUCTURE OF C60H36 [J].

AUSTIN, SJ ;

BATTEN, RC ;

FOWLER, PW ;

REDMOND, DB ;

TAYLOR, R .

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1993, (07) :1383-1386

[4] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].

CEPERLEY, DM ;

ALDER, BJ .

PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569

[5]

CLARE BW, 1994, J MOL STRUCT THEOCHE, V304, P181

[6] SYMMETRICAL ISOMERS OF C60H36 [J].

DUNLAP, BI ;

BRENNER, DW ;

SCHRIVER, GW .

JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (07) :1756-1757

[7] GEOMETRIC AND ELECTRONIC-STRUCTURES OF C60H60, C60F60, AND C60H36 [J].

DUNLAP, BI ;

BRENNER, DW ;

MINTMIRE, JW ;

MOWREY, RC ;

WHITE, CT .

JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (15) :5763-5768

[8]

FLEMING RM, 1991, MRS C

[9] THE STRUCTURE OF C60H36 [J].

HALL, LE ;

MCKENZIE, DR ;

ATTALLA, MI ;

VASSALLO, AM ;

DAVIS, RL ;

DUNLOP, JB ;

COCKAYNE, DJH .

JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (21) :5741-5744

[10]

HALL LE, 1998, UNPUB

← 1 2 →