Perturbation of 1JC,F Coupling in Carbon-Fluorine Bonds on Coordination to Lewis Acids: A Structural, Spectroscopic, and Computational Study

A lithiated m-terphenyl ligand bearing fluorine atoms at the ortho positions of the flanking aryl rings was synthesized and characterized using single crystal X-ray diffraction, variable-temperature multinuclear NMR spectroscopy, and computational methods. Here, changes in 1JC,F on coordination to l...

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Published inInorganic chemistry Vol. 59; no. 23; pp. 17259 - 17267
Main Authors Skeel, Brighton A, Boreen, Michael A, Lohrey, Trevor D, Arnold, John
Format Journal Article
LanguageEnglish
Published United States American Chemical Society (ACS) 07.12.2020
Subjects
Chemical structure
Fluorine
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Lewis acids
Lithium
Oligomers
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Summary:A lithiated m-terphenyl ligand bearing fluorine atoms at the ortho positions of the flanking aryl rings was synthesized and characterized using single crystal X-ray diffraction, variable-temperature multinuclear NMR spectroscopy, and computational methods. Here, changes in 1JC,F on coordination to lithium as a spectroscopic observable parametrizing the strength of the C–F···Li interaction are described, and a general, qualitative relationship between C–F bond lengths, Δ1JC,F values, and the extent of C–F bond activation as a result of Lewis acid coordination is proposed.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
AC02-05CH11231
USDOE Office of Science (SC), Basic Energy Sciences (BES)
USDOE National Nuclear Security Administration (NNSA)
ISSN:0020-1669
1520-510X
DOI:10.1021/acs.inorgchem.0c02516