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The Structure of Mn(acac)3—Experimental Evidence of a Static Jahn–Teller Effect in the Gas Phase
Abstract:The structure of free manganese(III) tris(acetylacetonate) Mn(acac)3] was determined by mass‐spectrometrically controlled gas‐phase electron diffraction. The vapor of Mn(acac)3 at 125(5) °C is composed of a single conformer of Mn(acac)3 in C2 symmetry with the central structural motif of a tetragonal elongated MnO6 octahedron and 47(2) mol % of acetylacetone (Hacac) formed by partial thermal decomposition of Mn(acac)3. Three types of Mn−O separations have been refined (rh1=2.157(16), 1.946(5), and 1.932(5) Å. We have found no indication for a significant deviation of the ‐C−C−C−O−Mn−O‐ six‐membered rings from planarity, which is observed in the solid state.
Keywords:electronic structure  gas-phase studies  high spin  manganese(III)
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