ACCURATE DETERMINATION OF HYDROGEN-ATOM POSITIONS IN ALPHA-TOLUENE BY NEUTRON POWDER DIFFRACTION

被引：13

作者：

IBBERSON, RM ^{[1
]}

DAVID, WIF ^{[1
]}

PRAGER, M ^{[1
]}

机构：

[1] FORSCHUNGSZENTRUM JULICH, INST FESTKORPERPHYS, W-5170 JULICH 1, GERMANY

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1992年 / 19期

关键词：

D O I：

10.1039/c39920001438

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The state of the art in powder diffraction structure analysis is demonstrated by a full crystal structure refinement of toluene (V(c) = 1116.21 angstrom3) using high resolution neutron powder diffraction data that involves the accurate refinement of 274 parameters which include 48 hydro en atom coordinates and 180 atomic displacement parameters.

引用

页码：1438 / 1439

页数：2

共 8 条

[1] TOLUENE - CRYSTAL AND MOLECULAR-STRUCTURE OF ALPHA-FORM AND AMORPHOUS MODIFICATION [J].

ANDERSON, M ;

BOSIO, L ;

BRUNEAUXPOULLE, J ;

FOURME, R .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1977, 74 (01) :68-73

[2]

BROWN PJ, 1987, RAL87010 RUTH APPL L

[3] X-RAY STUDY OF TOLUENE IN THE LIQUID, VITREOUS AND AMORPHOUS STATES [J].

BRUNEAUXPOULLE, J ;

BOSIO, L ;

DUPONT, M .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1979, 76 (04) :333-340

[4]

DAVID WIF, 1992, RAL92032 RUTH APPL

[5]

IBBERSON RM, RAL92031 RUTH APPL L

[6]

JOHNSON CK, 1971, ORNL3794

[7]

PRAGER M, 1991, J CHEM PHYS, V92, P2490

[8]

PRAGER M, UNPUB J CHEM PHYS

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