EXO,EXO-[1,3-BIS(TRIMETHYLSILYL)ALLYL]LITHIUM N,N,N',N'-TETRAMETHYLETHYLENEDIAMINE COMPLEX - CRYSTAL-STRUCTURE AND DYNAMICS IN SOLUTION

Journal article


Publication Details

Author(s): Boche G, Fraenkel G, Cabral J, Harms K, van Eikema Hommes N, Lohrenz J, Marsch M, Schleyer P
Journal: Journal of the American Chemical Society
Publisher: American Chemical Society
Publication year: 1992
Volume: 114
Journal issue: 5
Pages range: 1562-1565
ISSN: 0002-7863


Abstract


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.



FAU Authors / FAU Editors

Schleyer, Paul Prof. Dr.
Naturwissenschaftliche Fakultät
van Eikema Hommes, Nico Dr.
Computer-Chemie-Centrum


How to cite

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://dx.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.

BibTeX: 

Last updated on 2018-23-06 at 15:23