Observations on the steric impact of N- and S- donor scorpionate ligands

Graham Steel; Rajeev Rajasekharan-Nair; Iain A. Stepek; Alan R. Kennedy; John Reglinski; Mark D. Spicer

doi:10.1002/ejic.201500924

Observations on the steric impact of N- and S- donor scorpionate ligands

Graham Steel, Rajeev Rajasekharan-Nair, Iain A. Stepek, Alan R. Kennedy, John Reglinski, Mark D. Spicer

Pure And Applied Chemistry

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Abstract

A comparison is made between the steric influences of a range of zinc hydrotris(pyrazolyl)borates and zinc hydrotris(thio-imidazolyl)borates ([Zn(TpR)Cl], [Zn(TmR)Cl],: R = Me, iPr, Ph tBu)) using inverse cone angle analysis. The study combines the crystallographic analysis of [Zn(TmiPr)Cl] and [Zn(TmPh)Cl] with the data previously deposited with the Cambridge Crystallographic Data Centre. The study suggests that despite efforts to manipulate the reactive pocket around the metal centre in M(TmR) complexes, the incorporation of sterically confining substituents onto the framework has a minimal effect at the metal centre unless the group attached is very large.

Original language	English
Pages (from-to)	2409-2412
Number of pages	4
Journal	European Journal of Inorganic Chemistry
Volume	2016
Issue number	15-16
Early online date	12 Oct 2015
DOIs	https://doi.org/10.1002/ejic.201500924
Publication status	Published - 30 Jun 2016

Keywords

cone angles
scorpionate ligands
steric hindrance
substituent effects
zinc

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10.1002/ejic.201500924

Steel-etal-EJIC-2015-Observations-on-the-steric-impact-of-N-and-S-donorAccepted author manuscript, 424 KB

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title = "Observations on the steric impact of N- and S- donor scorpionate ligands",

abstract = "A comparison is made between the steric influences of a range of zinc hydrotris(pyrazolyl)borates and zinc hydrotris(thio-imidazolyl)borates ([Zn(TpR)Cl], [Zn(TmR)Cl],: R = Me, iPr, Ph tBu)) using inverse cone angle analysis. The study combines the crystallographic analysis of [Zn(TmiPr)Cl] and [Zn(TmPh)Cl] with the data previously deposited with the Cambridge Crystallographic Data Centre. The study suggests that despite efforts to manipulate the reactive pocket around the metal centre in M(TmR) complexes, the incorporation of sterically confining substituents onto the framework has a minimal effect at the metal centre unless the group attached is very large. ",

keywords = "cone angles, scorpionate ligands, steric hindrance, substituent effects, zinc",

author = "Graham Steel and Rajeev Rajasekharan-Nair and Stepek, {Iain A.} and Kennedy, {Alan R.} and John Reglinski and Spicer, {Mark D.}",

note = "This is the peer reviewed version of the following article: [Steel, G., Rajasekharan-Nair, R., Stepek, I. A., Kennedy, A. R., Reglinski, J., & Spicer, M. D. (2015). Observations on the steric impact of N- and S- donor scorpionate ligands. European Journal of Inorganic Chemistry], which has been published in final form at [http://onlinelibrary.wiley.com/doi/10.1002/ejic.201500924]. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.",

year = "2016",

month = jun,

day = "30",

doi = "10.1002/ejic.201500924",

language = "English",

volume = "2016",

pages = "2409--2412",

journal = "European Journal of Inorganic Chemistry",

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T1 - Observations on the steric impact of N- and S- donor scorpionate ligands

AU - Steel, Graham

AU - Rajasekharan-Nair, Rajeev

AU - Stepek, Iain A.

AU - Kennedy, Alan R.

AU - Reglinski, John

AU - Spicer, Mark D.

N1 - This is the peer reviewed version of the following article: [Steel, G., Rajasekharan-Nair, R., Stepek, I. A., Kennedy, A. R., Reglinski, J., & Spicer, M. D. (2015). Observations on the steric impact of N- and S- donor scorpionate ligands. European Journal of Inorganic Chemistry], which has been published in final form at [http://onlinelibrary.wiley.com/doi/10.1002/ejic.201500924]. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.

PY - 2016/6/30

Y1 - 2016/6/30

N2 - A comparison is made between the steric influences of a range of zinc hydrotris(pyrazolyl)borates and zinc hydrotris(thio-imidazolyl)borates ([Zn(TpR)Cl], [Zn(TmR)Cl],: R = Me, iPr, Ph tBu)) using inverse cone angle analysis. The study combines the crystallographic analysis of [Zn(TmiPr)Cl] and [Zn(TmPh)Cl] with the data previously deposited with the Cambridge Crystallographic Data Centre. The study suggests that despite efforts to manipulate the reactive pocket around the metal centre in M(TmR) complexes, the incorporation of sterically confining substituents onto the framework has a minimal effect at the metal centre unless the group attached is very large.

AB - A comparison is made between the steric influences of a range of zinc hydrotris(pyrazolyl)borates and zinc hydrotris(thio-imidazolyl)borates ([Zn(TpR)Cl], [Zn(TmR)Cl],: R = Me, iPr, Ph tBu)) using inverse cone angle analysis. The study combines the crystallographic analysis of [Zn(TmiPr)Cl] and [Zn(TmPh)Cl] with the data previously deposited with the Cambridge Crystallographic Data Centre. The study suggests that despite efforts to manipulate the reactive pocket around the metal centre in M(TmR) complexes, the incorporation of sterically confining substituents onto the framework has a minimal effect at the metal centre unless the group attached is very large.

KW - cone angles

KW - scorpionate ligands

KW - steric hindrance

KW - substituent effects

KW - zinc

UR - http://onlinelibrary.wiley.com/doi/10.1002/ejic.201500924/abstract

U2 - 10.1002/ejic.201500924

DO - 10.1002/ejic.201500924

M3 - Article

VL - 2016

SP - 2409

EP - 2412

JO - European Journal of Inorganic Chemistry

JF - European Journal of Inorganic Chemistry

SN - 1434-1948

IS - 15-16

ER -

Observations on the steric impact of N- and S- donor scorpionate ligands

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Observations on the steric impact of N- and S- donor scorpionate ligands

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