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Magnetic resonance in chemistry : MRC

Multinuclear magnetic resonance and molecular modeling investigations as unambiguous methods for the determination of silacycle 3D structures.


PMID 15095383

Abstract

An unexpected six-membered silacycle was obtained using ring-closing metathesis of diallylsilane 3. The ring size of the compound formed was derived using a 2D 13C-13C inadequate experiment. All proton and carbon-13 resonances were assigned from classical 2D NMR experiments and the proton coupling pattern was clarified. Molecular modeling calculation was then applied using NMR data as constraints, giving the 3D structure of the synthesized compound.

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