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

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

Journal

Journal of the American Chemical Society American Chemical Society

Publisher: American Chemical Society

Book Volume: 114

Pages Range: 1562-1565

Journal Issue: 5

DOI: 10.1021/ja00031a004

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.

Authors with CRIS profile

Nicolaas van Eikema Hommes Computer-Chemie-Centrum Paul Schleyer Naturwissenschaftliche Fakultät

Involved external institutions

Philipps-Universität Marburg DE Germany (DE) Ohio State University US United States (USA) (US)

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: Download