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Royal Society of Chemistry, Chemical Communications, 21(47), p. 6162, 2011

DOI: 10.1039/c1cc11697e

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

Journal article published in 2011 by F. Matthias Bickelhaupt,* Richard A. Layfield,* Mathias Nilsson Jordi Poater and Miquel Solà Sophia A. Solomon, Sophia A. Solomon, F. Matthias Bickelhaupt, F. Matthias Bickelhaupt, Richard A. Layfield ORCID, Mathias Nilsson, Jordi Poater, Miquel Sol??, Miquel Solà ORCID
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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.