Phosphine-stabilized copper-antimony clusters:: Syntheses, structures, and theoretical investigations of [Cu12(SbSiMe3)6(PiPr3)6], [Cu40Sb12(PMe3)20], and [Cu45Sb16(PEt2Me)16]

被引:19
作者
Ahlrichs, R
Fenske, D
McPartlin, M
Rothenberger, A
Schrodt, C
Wieber, S
机构
[1] Univ Karlsruhe, Inst Anorgan Chem, D-76131 Karlsruhe, Germany
[2] Univ Karlsruhe, Inst Phys Chem, D-76131 Karlsruhe, Germany
[3] Univ N London, Sch Appl Chem, London N7 8DB, England
[4] Forschungszentrum Karlsruhe GmbH, Inst Nanotechnol, D-76021 Karlsruhe, Germany
关键词
antimony; cluster compounds; copper; density functional calculations; molecular alloys;
D O I
10.1002/anie.200500593
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Molecular alloys: The composition and properties of the title compounds suggests that they can be regarded as molecular alloys. The single-crystal structures of these phosphine-stabilized compounds are determined (see picture for structure of [Cu45Sb16(PEt2Me) 16]; Sb red, Cu blue, P green) and confirmed by density functional theory (DFT) calculations. (Figure Presented) © 2005 Wiley-VCH Verlag GmbH & Co. KGaA.
引用
收藏
页码:3932 / 3936
页数:5
相关论文
共 39 条
[1]   Molecular alloys:: Syntheses and structures of the copper-antimony clusters [CU17Sb8(dPPM)6(Ph2PCHPPh2)] and [CU2OSb10(PCy3)8] [J].
Ahlrichs, R ;
Anson, CE ;
Clerac, R ;
Fenske, D ;
Rothenberger, A ;
Sierka, M ;
Wieber, S .
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2004, (14) :2933-2936
[2]   ELECTRONIC-STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS - THE PROGRAM SYSTEM TURBOMOLE [J].
AHLRICHS, R ;
BAR, M ;
HASER, M ;
HORN, H ;
KOLMEL, C .
CHEMICAL PHYSICS LETTERS, 1989, 162 (03) :165-169
[3]   ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR THE 2ND AND 3RD ROW TRANSITION-ELEMENTS [J].
ANDRAE, D ;
HAUSSERMANN, U ;
DOLG, M ;
STOLL, H ;
PREUSS, H .
THEORETICA CHIMICA ACTA, 1990, 77 (02) :123-141
[4]   PREPARATION AND CHARACTERIZATION OF SOME MIXED CLUSTERS OF BISMUTH WITH OSMIUM AND RUTHENIUM - CRYSTAL AND MOLECULAR-STRUCTURES OF OS3(MU-H)3(CO)9(MU-3-BI), OS4(CO)12(MU-4-BI)2, RU3(MU-H)3(CO)9(MU-3-BI), AND RU4(CO)12(MU-4-BI)2 [J].
ANG, HG ;
HAY, CM ;
JOHNSON, BFG ;
LEWIS, J ;
RAITHBY, PR ;
WHITTON, AJ .
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 1987, 330 (1-2) :C5-C11
[5]  
Balazs L, 2003, EUR J INORG CHEM, P1361
[6]   COMPLEXES OF 1,5-DI(PARA-TOLYL)-1,4-PENTAAZADIEN-3-IDE, CRYSTAL-STRUCTURES OF [CU(TOLYLNNNNNTOLYL)]3 AND [NI(TOLYLNNNNNTOLYL)2]2 [J].
BECK, J ;
STRAHLE, J .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1985, 24 (05) :409-410
[7]  
BECK J, 1985, ANGEW CHEM, V97, P419
[8]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[9]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[10]   TRIMETHYLSILYL DERIVATIVES OF VB-ELEMENTS .4. SYNTHESIS AND STRUCTURE OF LITHIUM BIS(TRIMETHYLSILYL)ANTIMONIDE . DME [J].
BECKER, G ;
MUNCH, A ;
WITTHAUER, C .
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 1982, 492 (09) :15-27