The composition of saturated and superheated vapors and molecular structure of Lu(C5O2HF6)3 |
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| Authors: | G V Girichev N V Tverdova N I Giricheva S A Shlykov N P Kuz’mina A Yu Rogachev |
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| Institution: | (1) Ivanovo State University of Chemical Technology, Ivanovo, Russia;(2) Faculty of Chemistry, Moscow State University, Leninskie gory, Moscow, 119992, Russia |
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| Abstract: | The molecular structure of lutetium tris-hexafluoroacetylacetonate Lu(hfa)3 was studied in a synchronous electron diffraction and mass spectrometric experiment and quantum-chemically by the HF and DFT/B3LYP methods. Saturated vapor over Lu(hfa)3 was found to be oligomerized to a substantial extent. The mass spectrum of saturated Lu(hfa)3 vapor was studied over the temperature range 76–100°C; it contained peaks of ions with one to three metal atoms. The peak of the highest intensity corresponded to the M2L 5 + stoichiometry. It was found in experiments with vapor superheating in a double two-temperature effusion cell that oligomeric forms disappeared above 150°C, whereas the decomposition of the monomeric form became noticeable above 250°C. The results obtained in theoretical and experimental studies allowed us to determine the structure of the Lu(hfa)3 molecule. |
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