Angewandte Chemie International Edition in English · 1993 · 40 citations · 11 references
Natural SciencesChemistryCrystal StructureInorganic ChemistryOrganic ChemistryCoordination ChemistryCrystal ChemistryMolecular SymmetryAb Initio CalculationsAb Initio Molecular CalculationsSymmetry AnalysisSymmetry In ChemistryTransition State Structure
A bent thallocene anion is found in complexes 1 and 2 , which are prepared by the reaction of [CpTl] and [Cp 2 Mg] (for 1 ) or [CpLi] (for 2 ) and N,N,N ′, N ′, N ″‐pentamethyldiethylenediamine (PMDETA). The [(η 5 ‐Cp) 2 Tl] − anion is isoelectronic and isostructural with stannocene. Ab initio calculations show that the bent structure with C S symmetry is only marginally more stable than the linear conformer with D 5h symmetry. equation image
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