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

Sophia A. Solomon; F. Matthias Bickelhaupt; Richard A. Layfield; Mathias Nilsson; Jordi Poater; Miquel Solà

doi:10.1039/c1cc11697e

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

Sophia A. Solomon, F. Matthias Bickelhaupt, Richard A. Layfield, Mathias Nilsson, Jordi Poater, Miquel Solà

Research output: Contribution to journal › Article › peer-review

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. © 2011 The Royal Society of Chemistry.

Original language	English
Pages (from-to)	6162-6164
Number of pages	2
Journal	Chemical Communications
Volume	47
Issue number	21
DOIs	https://doi.org/10.1039/c1cc11697e
Publication status	Published - 7 Jun 2011

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http://pubs.rsc.org/en/content/articlelanding/2011/cc/c1cc11697e

CCDC 805551: Experimental Crystal Structure Determination
Solomon, S. A. (Contributor), Bickelhaupt, F. M. (Contributor), Layfield, R. (Contributor), Nilsson, M. (Contributor), Poater, J. (Contributor) & Solà, M. (Contributor), Cambridge Crystallographic Data Centre, 1 Jan 2011
DOI: 10.5517/ccw17jn, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccw17jn&sid=DataCite
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title = "A donor-functionalized, silyl-substituted pentadienyllithium: Structural insight from experiment and theory",

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. {\textcopyright} 2011 The Royal Society of Chemistry.",

author = "Solomon, {Sophia A.} and Bickelhaupt, {F. Matthias} and Layfield, {Richard A.} and Mathias Nilsson and Jordi Poater and Miquel Sol{\`a}",

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doi = "10.1039/c1cc11697e",

language = "English",

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journal = "Chemical Communications",

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publisher = "Royal Society of Chemistry",

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T1 - A donor-functionalized, silyl-substituted pentadienyllithium: Structural insight from experiment and theory

AU - Solomon, Sophia A.

AU - Bickelhaupt, F. Matthias

AU - Layfield, Richard A.

AU - Nilsson, Mathias

AU - Poater, Jordi

AU - Solà, Miquel

PY - 2011/6/7

Y1 - 2011/6/7

N2 - 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. © 2011 The Royal Society of Chemistry.

AB - 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. © 2011 The Royal Society of Chemistry.

U2 - 10.1039/c1cc11697e

DO - 10.1039/c1cc11697e

M3 - Article

SN - 1359-7345

VL - 47

SP - 6162

EP - 6164

JO - Chemical Communications

JF - Chemical Communications

IS - 21

ER -

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

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CCDC 805551: Experimental Crystal Structure Determination

Cite this