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Structural and Energetic Features of Group 13 Element Trispentafluorophenyl Complexes with Diethyl Ether
Author(s) -
Kazakov Igor V.,
Lisovenko Anna S.,
Shcherbidezhda A.,
Kornyakov Ilya V.,
Gugin Nikita Y.,
Kondrat'ev Yurii V.,
Chernysheva Anna M.,
Zavgorodnii Artem S.,
Timoshkin Alexey Y.
Publication year - 2020
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.202000815
Subject(s) - chemistry , diethyl ether , isostructural , moiety , ether , dissociation (chemistry) , lewis acids and bases , bond dissociation energy , chemical stability , standard enthalpy of formation , crystallography , acceptor , chemical shift , ionic bonding , stereochemistry , medicinal chemistry , computational chemistry , ion , organic chemistry , crystal structure , physics , condensed matter physics , catalysis
The complexes of group 13 element trispentafluorophenyl derivatives E(C 6 F 5 ) 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 CD 2 Cl 2 solutions correlate with gas phase dissociation enthalpies of the complexes. Potentially high Lewis acidity of B(C 6 F 5 ) 3 is hindered by the large pyramidalization energy of the acceptor moiety.