MOLECULAR-STRUCTURE OF DECAMETHYLFERROCENE STUDIED BY GAS-PHASE ELECTRON-DIFFRACTION - DETERMINATION OF EQUILIBRIUM CONFORMATION AND BARRIER TO INTERNAL-ROTATION OF THE LIGAND RINGS

被引：62
作者：
ALMENNINGEN, A
HAALAND, A
SAMDAL, S
BRUNVOLL, J
ROBBINS, JL
SMART, JC
机构：
[1] UNIV TRONDHEIM,NORWEGIAN INST TECHNOL,INST THEORET CHEM,N-7034 TRONDHEIM,NORWAY
[2] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
来源：
JOURNAL OF ORGANOMETALLIC CHEMISTRY | 1979年 / 173卷 / 03期
基金：
美国国家科学基金会;
关键词：
D O I：
10.1016/S0022-328X(00)84784-1
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The molecular structure of decamethylferrocene, (η-C5Me5)2Fe, has been determined by gas phase electron diffraction. The FeC and C(Cp)C(Cp) bond distances, 2.064(3) and 1.439(2) Å, respectively, are indistinguishable from those in ferrocene, Cp2Fe. But, while the equilibrium conformation of gaseous Cp2Fe is eclipsed (D5h), the equilibrium conformation of (C5Me5)2Fe is staggered (D5d) with a barrier to internal rotation of the ligand rings V5 = 1.0(0.3) kcal mol-1. And while the CH bonds in Cp2Fe are bent about 4° out of the plane of the C5 ring towards the metal atom, the C(Cp)C(Me) bonds in (C5Me5)2Fe are bent 3.4(0.5)° out of the plane in the opposite direction. © 1979.
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页码：293 / 299
页数：7
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