Synthesis, Crystal Structure and Bond Situation of [Co7Se7Cp3(CO)4] (Cp = Cyclopentadienyl)

被引：0
作者：
Koenig, Sven [2 ]
Fenske, Dieter [1 ,2 ]
Weigend, Florian [1 ]
机构：
[1] Forschungszentrum Karlsruhe, Inst Nanotechnol, D-76021 Karlsruhe, Germany
[2] Univ Karlsruhe, Inst Anorgan Chem, D-76128 Karlsruhe, Germany
来源：
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE | 2009年 / 635卷 / 13-14期
关键词：
Cluster compounds; Cobalt; Density functional calculations; Localized orbitals; Cyclopentadienyl ligands; X-RAY-STRUCTURE; TRANSITION-METAL-COMPLEXES; CLUSTER COMPOUNDS; MOLECULAR ORBITALS; NICKEL-CLUSTERS; WAVE-FUNCTIONS; BASIS-SETS; COBALT; LIGANDS; CARBONYL;
D O I：
10.1002/zaac.200900134
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The reaction of Se(SiMe3)(2) with [CpCo(CO)(2)] (Cp = cyclopentadienyl) led to the formation of the new chalkogenido-bridged cobalt cluster compound [Co7Se7Cp3(Co)(4)] (1). The compound crystallizes as dark violet needles that are suitable for X-ray structural analysis. Space group P2(1)/n, monoclinic, Z = 4; lattice dimensions /angstrom: a = 10.321(2), b = 15.860(3), c = 18.436(4); beta = 100.57(3)degrees; V = 2966.7(10) angstrom(3); R-1 = 0.0411. The molecular structure of the compound features a distorted hexagonal prism. The bond situation was investigated by density functional calculations and subsequent transformation to localized molecular orbitals.
引用
收藏
页码：2288 / 2293
页数：6
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