The first structurally characterised example of silicon in an S6 coordination sphere

Annemarie Marckwordt; Rajeev Rajasekharan‐Nair; Graham Steel; Alan R. Kennedy; John Reglinski; Mark D. Spicer

doi:10.1002/ejic.201501269

The first structurally characterised example of silicon in an S6 coordination sphere

Annemarie Marckwordt, Rajeev Rajasekharan‐Nair, Graham Steel, Alan R. Kennedy, John Reglinski^*, Mark D. Spicer^*

^*Corresponding author for this work

Chemical Science

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

Abstract

The reaction of sodium hydro-tris(phenylthioimidazolyl) borate (NaTmPh) with silicon tetraiodide gives rise to the first crystallographically characterised molecular silicon compounds, [Si(TmPh)2] 2X (X = I– and I3–), in which the silicon is found in a regular S6 environment. The [Si(TmPh)2]2+ cation is subjected to analysis using DFT methods to explain why an S6 coordination motif is preferred to an S4 coordination motif.

Original language	English
Pages (from-to)	2552-2555
Number of pages	4
Journal	European Journal of Inorganic Chemistry
Volume	2016
Issue number	15-16
Early online date	1 Mar 2016
DOIs	https://doi.org/10.1002/ejic.201501269
Publication status	Published - 10 Jun 2016

Keywords

silicon
scorpionates
sulfur donor
structure elucidation
density functional calculations

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10.1002/ejic.201501269

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title = "The first structurally characterised example of silicon in an S6 coordination sphere",

abstract = "The reaction of sodium hydro-tris(phenylthioimidazolyl) borate (NaTmPh) with silicon tetraiodide gives rise to the first crystallographically characterised molecular silicon compounds, [Si(TmPh)2] 2X (X = I– and I3–), in which the silicon is found in a regular S6 environment. The [Si(TmPh)2]2+ cation is subjected to analysis using DFT methods to explain why an S6 coordination motif is preferred to an S4 coordination motif.",

keywords = "silicon, scorpionates, sulfur donor, structure elucidation, density functional calculations",

author = "Annemarie Marckwordt and Rajeev Rajasekharan‐Nair and Graham Steel and Kennedy, {Alan R.} and John Reglinski and Spicer, {Mark D.}",

year = "2016",

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T1 - The first structurally characterised example of silicon in an S6 coordination sphere

AU - Marckwordt, Annemarie

AU - Rajasekharan‐Nair, Rajeev

AU - Steel, Graham

AU - Kennedy, Alan R.

AU - Reglinski, John

AU - Spicer, Mark D.

PY - 2016/6/10

Y1 - 2016/6/10

N2 - The reaction of sodium hydro-tris(phenylthioimidazolyl) borate (NaTmPh) with silicon tetraiodide gives rise to the first crystallographically characterised molecular silicon compounds, [Si(TmPh)2] 2X (X = I– and I3–), in which the silicon is found in a regular S6 environment. The [Si(TmPh)2]2+ cation is subjected to analysis using DFT methods to explain why an S6 coordination motif is preferred to an S4 coordination motif.

AB - The reaction of sodium hydro-tris(phenylthioimidazolyl) borate (NaTmPh) with silicon tetraiodide gives rise to the first crystallographically characterised molecular silicon compounds, [Si(TmPh)2] 2X (X = I– and I3–), in which the silicon is found in a regular S6 environment. The [Si(TmPh)2]2+ cation is subjected to analysis using DFT methods to explain why an S6 coordination motif is preferred to an S4 coordination motif.

KW - silicon

KW - scorpionates

KW - sulfur donor

KW - structure elucidation

KW - density functional calculations

U2 - 10.1002/ejic.201501269

DO - 10.1002/ejic.201501269

M3 - Article

VL - 2016

SP - 2552

EP - 2555

JO - European Journal of Inorganic Chemistry

JF - European Journal of Inorganic Chemistry

SN - 1099-0682

IS - 15-16

ER -