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7Li and 13C solid-state NMR spectra of lithium cuprates

✍ Scribed by Steffen Jost; Martin Kühnen; Harald Günther

Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
403 KB
Volume
44
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

^7^Li and ^13^C solid‐state MAS NMR spectra of three lithium cuprates with known X‐ray structures—lithium([12]crown‐4)~2~ dimethyl and diphenyl cuprate (1,2) and lithium(thf)~4~‐[tris(trimethylsilyl) methyl]~2~ cuprate (3)—have been measured and analysed with respect to the quadrupolar coupling constants of lithium‐7, χ(^7^Li), and the asymmetry parameters of the quadrupolar interactions, η(^7^Li), as well as the ^6, 7^Li and ^13^C chemical shifts. The χ(^7^Li) values of 23, 30, and 18 kHz for 1, 2 and 3, respectively, are in line with the high symmetry around the lithium nucleus in the solvent‐separated structures and may be used as reference data for this structural motif. Calculations based on charges derived from ab initio 6‐31 G* HF computations using the point charge model (PCM) and the program GAMESS support the experimental findings. Copyright © 2006 John Wiley & Sons, Ltd.

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