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Synthesis and Characterization of Two Uranyl‐Aryl “Ate” Complexes
Author(s) -
Ordoñez Osvaldo,
Yu Xiaojuan,
Wu Guang,
Autschbach Jochen,
Hayton Trevor W.
Publication year - 2021
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.202005078
Subject(s) - chemistry , uranyl , aryl , crystallography , medicinal chemistry , stereochemistry , organic chemistry , alkyl , ion
Reaction of [UO 2 Cl 2 (THF) 3 ] with 3 equivalents of LiC 6 Cl 5 in Et 2 O resulted in the formation of first uranyl aryl complex [Li(Et 2 O) 2 (THF)][UO 2 (C 6 Cl 5 ) 3 ] ([Li][ 1 ]) in good yields. Subsequent dissolution of [Li][ 1 ] in THF resulted in conversion into [Li(THF) 4 ][UO 2 (C 6 Cl 5 ) 3 (THF)] ([Li][ 2 ]), also in good yields. DFT calculations reveal that the U−C bonds in [Li][ 1 ] and [Li][ 2 ] exhibit appreciable covalency. Additionally, the 13 C NMR chemical shifts for their C ipso environments are strongly affected by spin‐orbit coupling—a consequence of 5f orbital participation in the U−C bonds.