Molecular Mechanics Analysis of Structure and Diastereoselectivity toward Lithiation in Amido- and α-Aminoferrocene Complexes

A molecular mechanics force field has been developed for the conformational analysis of amido- and α-aminoferrocenes. Parameterization for ring-substituent rotational barriers in amidoferrocenes and other cross-conjugated derivatives have been calculated using DFT on both the free and complexed cycl...

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Veröffentlicht in:	Organometallics 2002-11, Vol.21 (24), p.5272-5286
Hauptverfasser:	Howell, James A. S, Yates, Paul C, Fey, Natalie, McArdle, Patrick, Cunningham, Desmond, Parsons, Simon, Rankin, David W. H
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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