Synthesis and structure of two ionic copper indium selenolate cluster complexes [As(C6H5)4]2[Cu6In4(SeC6H5)16Cl4] and [As(C6H5)4]-[Cu7In4(SeC6H5)20]

被引：18
作者：
Ahlrichs, R
Crawford, NRM
Eichhöfer, A
Fenske, D
Hampe, O
Kappes, MM
Olkowska-Oetzel, J
机构：
[1] Forschungszentrum Karlsruhe, Inst Nanotechnol, D-76021 Karlsruhe, Germany
[2] Univ Karlsruhe, Lehrstuhl Theoret Chem, Inst Phys Chem, D-76128 Karlsruhe, Germany
[3] Univ Karlsruhe, Inst Anorgan Chem, D-76128 Karlsruhe, Germany
来源：
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY | 2006年 / 02期
关键词：
cluster compounds; density functional calculations; mass spectrometry; X-ray diffraction;
D O I：
10.1002/ejic.200500814
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The reaction of PhSeSiMe3, CuCl, InCl3, and Ph4AsCl in CH2Cl2 results in crystals of the structurally closely related, ionic clusters (AsPh4)(2)[Cu6In4Cl4(SePh)(16)] and (AsPh4)-[Cu7In4(SePh)(20)], with product ratios dependent on the initial PhSeSiMe3 concentration. Both molecules display a fused four-adamantoid structure related to the solid-state structure of CulnSe(2). Since the crystallographic analysis for [Cu(7)In4-(SePh)(20)](-) remained ambiguous with respect to the assignment of one of the copper atoms, we performed a high-resolution mass spectrometric analysis as well as DFT computations to address this problem.
引用
收藏
页码：345 / 350
页数：6
相关论文
共 52 条
[1]   Phosphine-stabilized copper-antimony clusters:: Syntheses, structures, and theoretical investigations of [Cu12(SbSiMe3)6(PiPr3)6], [Cu40Sb12(PMe3)20], and [Cu45Sb16(PEt2Me)16] [J].
Ahlrichs, R ;
Fenske, D ;
McPartlin, M ;
Rothenberger, A ;
Schrodt, C ;
Wieber, S .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2005, 44 (25) :3932-3936
[2]   Synthesis and structure of [Ag26In18S36Cl6(dppm)10(thf)4](thf)4][InCl4(thf)]2 -: A combined approach of theory and experiment [J].
Ahlrichs, R ;
Eichhöfer, A ;
Fenske, D ;
Hampe, O ;
Kappes, MM ;
Nava, P ;
Olkowska-Oetzel, J .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2004, 43 (29) :3823-3827
[3]   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
[4]  
AHLRICHS R, 2005, ANGEW CHEM, V117, P4002
[5]  
AHLRICHS R, 2004, ANGEW CHEM, V116, P3911
[6]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[7]   Synthesis and crystal structure of [Cd10Se4(SePh)12(PPh3)4] and [Cd16(SePh)32(PPh3)2] [J].
Behrens, S ;
Bettenhausen, M ;
Eichhöfer, A ;
Fenske, D .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1997, 36 (24) :2797-2799
[8]  
BEHRENS S, 1997, ANGEW CHEM, V109, P2874
[9]  
BRAUER G, 1975, HDB PRAPARATIVEN ANO, V1, P372
[10]   [S4ZN10(SPH)16]4-, [S4CD10(SPH)16]4-, A MOLECULAR FRAGMENT OF THE SPHALERITE MS LATTICE - STRUCTURAL CONGRUENCE OF METAL SULFIDES AND METAL THIOLATES [J].
CHOY, A ;
CRAIG, D ;
DANCE, I ;
SCUDDER, M .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1982, (21) :1246-1247
123456