Issue 21, 2011
From the journal:

Chemical Communications

A donor-functionalized, silyl-substituted pentadienyllithium: structural insight from experiment and theory†

Sophia A. Solomon,a   F. Matthias Bickelhaupt,*b   Richard A. Layfield,*a   Mathias Nilsson,a   Jordi Poaterc  and  Miquel Solàc  

* Corresponding authors

a School of Chemistry, The University of Manchester, Oxford Road, Manchester, UK
E-mail: Richard.Layfield@manchester.ac.uk

b Department of Theoretical Chemistry, Amsterdam Center for Multiscale Modeling, Scheikundig Laboratorium der Vrije Universiteit, Amsterdam, The Netherlands
E-mail: F.M.Bickelhaupt@vu.nl

c Institute of Computational Chemistry and Department of Chemistry, University of Girona, Campus de Montilivi, 17071 Girona, Spain

Abstract

A donor-functionalized, silyl-substituted pentadienyllithium has been synthesized and characterized by crystallography and NMR spectroscopy. The pentadienyl negative charge was found to be partially localized, which DFT revealed to be due to the polarizing power of the lithium cation.

Graphical abstract: A donor-functionalized, silyl-substituted pentadienyllithium: structural insight from experiment and theory

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Article information

DOI
https://doi.org/10.1039/C1CC11697E
Article type
Communication
Submitted
24 Mar 2011
Accepted
08 Apr 2011
First published
26 Apr 2011

Chem. Commun., 2011,47, 6162-6164

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A donor-functionalized, silyl-substituted pentadienyllithium: structural insight from experiment and theory

S. A. Solomon, F. M. Bickelhaupt, R. A. Layfield, M. Nilsson, J. Poater and M. Solà, Chem. Commun., 2011, 47, 6162 DOI: 10.1039/C1CC11697E

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