Structures and Stability of Complexes of E(C6F5)3 (E = B, Al, Ga, In) with Acetonitrile. Issue 13 (22nd April 2020)

• Record Type: Journal Article
• Authors: Shcherbina, Nadezhda A.; Pomogaeva, Anna V.; Lisovenko, Anna S.; Kazakov, Igor V.; Gugin, Nikita Yu.; Khoroshilova, Olesya V.; Kondrat'ev, Yuri V.; Timoshkin, Alexey Y.
• Is Part Of: Zeitschrift für anorganische und allgemeine Chemie. Volume 646:Issue 13(2020)
• Page Start: 873
• Page End: 881
• Publication Date: 2020-04-22
• Subjects: Group 13 tris(pentafluorophenyl) Lewis acids -- Acetonitrile -- Structure -- Thermal stability -- DFT computations; Chemistry, Inorganic -- Periodicals; Chemistry -- Periodicals; 540
• DOI: 10.1002/zaac.202000030
• Languages: English
• ISSNs: 0044-2313

Abstract

Abstract : Complexes formed by interaction of E(C6 F5 )3 (E = B, Al, Ga, In) with excess of acetonitrile (AN) were structurally characterized. Quantum chemical computations indicate that for Al(C6 F5 )3 and In(C6 F5 )3 the formation of a complex of 1:2 composition is more advantageous than for B(C6 F5 )3 and Ga(C6 F5 )3, in line with experimental observations. Formation of the solvate [Al(C6 F5 )3 · 2AN]· AN is in agreement with predicted thermodynamic instability of [Al(C6 F5 )3 · 3AN]. Tensimetry study of B(C6 F5 )3 · CH3 CN reveals its stability in the solid state up to 197 °C. With the temperature increase, the complex undergoes irreversible thermal decomposition with pentafluorobenzene formation. Abstract :