Bond stretch isomerism still elusive in linear trimetallic complexes.: DFT calculations on Co3(dipyridylamine)4Cl2

被引：73

作者：

Rohmer, MM

Bénard, M

机构：

[1] CNRS, UMR 7551, Lab Chim Quant, F-67000 Strasbourg, France

[2] Univ Strasbourg 1, F-67000 Strasbourg, France

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1998年 / 120卷 / 36期

关键词：

D O I：

10.1021/ja981400d

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：9372 / 9373

页数：2

共 15 条

[1]

[Anonymous], [No title captured], DOI DOI 10.1016/0021-9991(92)90277-6

[2] Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure [J].

Baerends, E. J. ;

Ellis, D. E. ;

Ros, P. .

CHEMICAL PHYSICS, 1973, 2 (01) :41-51

[3] DENSITY FUNCTIONAL CALCULATIONS OF MOLECULAR-BOND ENERGIES [J].

BECKE, AD .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (08) :4524-4529

[4] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].

BECKE, AD .

PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100

[5] Symmetrical and unsymmetrical compounds having a linear Co-3(6+) chain ligated by a spiral set of dipyridyl anions [J].

Cotton, FA ;

Daniels, LM ;

Jordan, GT ;

Murillo, CA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (43) :10377-10381

[6]

Fonseca C.G., 1995, METHODS TECHNIQUES C, P305

[7] DO BOND-STRETCH ISOMERS REALLY EXIST [J].

PARKIN, G .

ACCOUNTS OF CHEMICAL RESEARCH, 1992, 25 (10) :455-460

[8]

PERDEW JP, 1986, PHYS REV B, V33, P8882

[9]

SNIJDERS GJ, 1982, ATOM DATA NUCL DATA, V26, P483

[10] BOND-STRETCH ISOMERISM AND POLYTOPAL REARRANGEMENTS IN (CH)5+, (CH)5-, AND (CH)4CO [J].

STOHRER, WD ;

HOFFMANN, R .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (05) :1661-&

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