Boche G, Fraenkel G, Cabral J, Harms K, van Eikema Hommes N, Lohrenz J, Marsch M, Schleyer P (1992)
Publication Status: Published
Publication Type: Journal article
Publication year: 1992
Publisher: American Chemical Society
Book Volume: 114
Pages Range: 1562-1565
Journal Issue: 5
DOI: 10.1021/ja00031a004
The X-ray structure of the title compound (1-TMEDA) shows that the essentially symmetrical allyl anion moiety is perturbed by complexation with TMEDA in a twisted conformation. The NMR-observed symmetrization of both the allyl end carbons and all the TMEDA methyl groups at higher temperatures is best modeled by molecular orbital calculations when two mechanisms (ligand rotation and ligand twisting) are assumed. These are calculated to have nearly the same barrier and. are in accord with the experimental value.
APA:
Boche, G., Fraenkel, G., Cabral, J., Harms, K., van Eikema Hommes, N., Lohrenz, J.,... Schleyer, P. (1992). EXO,EXO-[1,3-BIS(TRIMETHYLSILYL)ALLYL]LITHIUM N,N,N',N'-TETRAMETHYLETHYLENEDIAMINE COMPLEX - CRYSTAL-STRUCTURE AND DYNAMICS IN SOLUTION. Journal of the American Chemical Society, 114(5), 1562-1565. https://doi.org/10.1021/ja00031a004
MLA:
Boche, Gernot, et al. "EXO,EXO-[1,3-BIS(TRIMETHYLSILYL)ALLYL]LITHIUM N,N,N',N'-TETRAMETHYLETHYLENEDIAMINE COMPLEX - CRYSTAL-STRUCTURE AND DYNAMICS IN SOLUTION." Journal of the American Chemical Society 114.5 (1992): 1562-1565.
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