Structural and Energetic Features of Group 13 Element Trispentafluorophenyl Complexes with Diethyl Ether. Issue 47 (12th November 2020)

• Record Type: Journal Article
• Authors: Kazakov, Igor V.; Lisovenko, Anna S.; Shcherbina, Nadezhda A.; Kornyakov, Ilya V.; Gugin, Nikita Y.; Kondrat'ev, Yurii V.; Chernysheva, Anna M.; Zavgorodnii, Artem S.; Timoshkin, Alexey Y.
• Is Part Of: European journal of inorganic chemistry. Issue 47(2020)
• Page Start: 4442
• Page End: 4449
• Publication Date: 2020-11-12
• Subjects: Trispentafluorophenyl derivatives -- Group 13 elements -- Lewis acids -- Structure elucidation -- Density functional calculations; Chemistry, Inorganic -- Periodicals; Organometallic chemistry -- Periodicals; Bioinorganic chemistry -- Periodicals; Solid state chemistry -- Periodicals; 546
• DOI: 10.1002/ejic.202000815
• Languages: English
• ISSNs: 1434-1948

Abstract

Abstract : The complexes of group 13 element trispentafluorophenyl derivatives E(C6 F5 )3 (E = B, Al, Ga, In) with diethyl ether of 1:1 composition have been synthesized and structurally characterized. All compounds are isostructural. Thermal stability studies reveal that at elevated temperatures all complexes decompose with pentafluorobenzene evolution. The geometries and thermodynamic characteristics for the dissociation reactions of the compounds have been computed using three DFT methods. The 1 H NMR α‐proton chemical shifts for the coordinated ether in deuteriobenzene and in CD2 Cl2 solutions correlate with gas phase dissociation enthalpies of the complexes. Potentially high Lewis acidity of B(C6 F5 )3 is hindered by the large pyramidalization energy of the acceptor moiety. Abstract : Structures, volatility and thermal stability of E(C6 F5 )3 (E = B, Al, Ga, In) complexes with diethyl ether were studied experimentally and computationally. Large reorganization energy hinders Lewis acidity of boron‐containing Lewis acid.