7Li and 13C solid-state NMR spectra of lithium cuprates.
7Li and 13C 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, chi(7Li), and the asymmetry parameters of the quadrupolar interactions, eta(7Li), as well as the 6, 7Li and 13C chemical shifts. The chi(7Li) 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.
Jost
Steffen
S
University of Siegen, FB 8, OC II, D-57068 Siegen, Germany.
Kühnen
Martin
M
Günther
Harald
H