BONDING IN HALOCUPRATES

被引：99

作者：

SUBRAMANIAN, L

HOFFMANN, R

机构：

[1] CORNELL UNIV,DEPT CHEM,ITHACA,NY 14853

[2] CORNELL UNIV,CTR MAT SCI,ITHACA,NY 14853

来源：

INORGANIC CHEMISTRY | 1992年 / 31卷 / 06期

关键词：

D O I：

10.1021/ic00032a019

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The unusual square pyramidal geometry around halogen atoms bridging four Cu atoms in halocuprates is studied within the extended Huckel framework. Calculations are performed on the discrete molecular anion [Cu6Br9]3-, as well as on the one-dimensional polymeric [Cu2Br3]- infinity structure. We examine the bonding between the bridging Br and Cu atoms in planar and nonplanar model systems. Br should be capable of bridging as many as six Cu atoms. In the higher coordinations pyramidality is favored; the bonding is perforce delocalized, an extension of three-center bonding. A few hypothetical structures of halocuprates with a tetrahedral and a square pyramidal mu(4)-X are predicted.

引用

页码：1021 / 1029

页数：9

共 55 条

[1] STRUCTURE AND STABILITY OF BR-4 AND BR-4(2-) AND THEIR INTERACTION WITH CATIONS AND TRANSITION-METALS [J].

ALVAREZ, S ;

MOTA, F ;

NOVOA, J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (22) :6586-6591

[2] CRYSTAL-STRUCTURE OF TETRAMETHYLAMMONIUM CATENA-DI-MU3-IODO-[MU-IODO-DICUPRATE(I)],[N(CH3)4][CU2I3] [J].

ANDERSSON, S ;

JAGNER, S .

ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1985, 39 (03) :181-186

[3] CRYSTAL-STRUCTURE OF PHENYLTRIMETHYLAMMONIUM DICHLOROCUPRATE(I), [N(C6H5)(CH3)3][CUCL2] [J].

ANDERSSON, S ;

JAGNER, S .

ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1985, 39 (10) :799-812

[4] CRYSTAL-STRUCTURE OF PROPYLTRIPHENYLPHOSPHONIUM DIBROMOCUPRATE(I), [P(C3H7)(C6H5)3][CUBR2] [J].

ANDERSSON, S ;

JAGNER, S .

ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1985, 39 (08) :577-581

[5] BIS(METHYLTRIPHENYLPHOSPHONIUM) DI-MU-BROMO-DIBROMODICUPRATE(I) [J].

ANDERSSON, S ;

JAGNER, S .

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1987, 43 :1089-1091

[6] CRYSTAL-STRUCTURE OF ETHYLTRIPHENYLPHOSPHONIUM DIBROMOCUPRATE(I), [P(C2H5)(C6H5)3][CUBR2] [J].

ANDERSSON, S ;

JAGNER, S .

ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1985, 39 (07) :515-518

[7] MIXED-METAL (CU/AG) HALOMETALLATE(I) CLUSTERS - PREPARATION AND CRYSTAL-STRUCTURES OF [P(C6H5)4]4[AG2CU2L8], [P(C6H5)4]4[AG3CUL8] AND [P(C6H5)4]2[AGCUBR4] [J].

ANDERSSON, S ;

HELGESSON, G ;

JAGNER, S ;

OLSON, S .

ACTA CHEMICA SCANDINAVICA, 1989, 43 (10) :946-952

[8] ANIONIC CONFIGURATIONS AND LIGAND CONCENTRATIONS IN BUTYLTRIPHENYLPHOSPHONIUM DIBROMOCUPRATE(I) AND BIS(BUTYLTRIPHENYLPHOSPHONIUM) HEXA-MU-BROMO-TETRAHEDRO-TETRACUPRATE(I) [J].

ANDERSSON, S ;

JAGNER, S .

ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1986, 40 (03) :210-217

[9] A NEW BROMOCUPRATE(I) CLUSTER - STRUCTURE OF TRIS(METHYLTRIETHYLAMMONIUM) OCTA-MU-BROMO-MU-4-BROMO-HEXACUPRATE(I), [N(CH3)(C2H5)3]3[CU6BR9] [J].

ANDERSSON, S ;

JAGNER, S .

ACTA CHEMICA SCANDINAVICA, 1989, 43 (01) :39-43

[10] COORDINATION OF COPPER(I) IN BIS(TETRAMETHYLPHOSPHONIUM) TRIBROMOCUPRATE(I) AND BIS(TETRAETHYLPHOSPHONIUM) DI-MU-BROMO-DIBROMODICUPRATE(I) - COMPARISON OF ANIONIC CONFIGURATIONS IN BROMOCUPRATES(I) CRYSTALLIZING WITH SYMMETRICAL TETRAALKYLAMMONIUM AND RELATED CATIONS [J].

ANDERSSON, S ;

JAGNER, S .

ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1987, 41 (04) :230-236

← 1 2 3 4 5 6 →