Structures and Stability of Complexes of E(C6F5)3 (E = B,Al, Ga,In) with Acetonitrile |
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| Authors: | Nadezhda A Shcherbina Anna V Pomogaeva Anna S Lisovenko Igor V Kazakov Nikita Yu Gugin Olesya V Khoroshilova Yuri V Kondrat'ev Alexey Y Timoshkin |
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| Institution: | Department of Inorganic Chemistry, St. Petersburg State University, Universitetskaya emb. 7–9, 199034 St. Petersburg, Russia |
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| Abstract: | Complexes formed by interaction of E(C6F5)3 (E = B, Al, Ga, In) with excess of acetonitrile (AN) were structurally characterized. Quantum chemical computations indicate that for Al(C6F5)3 and In(C6F5)3 the formation of a complex of 1:2 composition is more advantageous than for B(C6F5)3 and Ga(C6F5)3, in line with experimental observations. Formation of the solvate Al(C6F5)3 · 2AN] · AN is in agreement with predicted thermodynamic instability of Al(C6F5)3 · 3AN]. Tensimetry study of B(C6F5)3 · CH3CN reveals its stability in the solid state up to 197 °C. With the temperature increase, the complex undergoes irreversible thermal decomposition with pentafluorobenzene formation. |
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| Keywords: | Group 13 tris(pentafluorophenyl) Lewis acids Acetonitrile Structure Thermal stability DFT computations |
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