Regression Analysis of properties of [Au(IPr)(CHR2)] complexes

Richard M. P.  Veenboer; Luis M. Azofra; Danila Gasperini; Alba Collado; David Cordes; Alexandra M.z. Slawin; Luigi Cavallo; Steven P. Nolan

doi:10.1039/C9DT00841A

Regression Analysis of properties of [Au(IPr)(CHR2)] complexes

Richard M. P. Veenboer, Luis M. Azofra, Danila Gasperini, Alba Collado, David Cordes, Alexandra M.z. Slawin, Luigi Cavallo, Steven P. Nolan

Department of Chemistry

University of St Andrews

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

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Abstract

New [Au(IPr)(CHR ₂)] complexes have been synthesised through protonolysis reactions of [Au(IPr)(OH)] with moderately acidic substrates, CH ₂R ₂. An array of spectroscopic (IR and NMR), structural (X-ray), electronic (DFT) and experimental (reactivity) parameters was collected to quantify the variation in stereoelectronic properties of these new and previously reported [Au(IPr)(CHR ₂)] complexes. Variation of the R substituents on the carbanion ligands (CHR ₂ ^-) was found to have a crucial impact on parameters characterising the resulting gold complexes. A regression analysis of both experimental and modelled parameters, guided by network analysis techniques, produced linear models that supported trends within the [Au(IPr)(CHR ₂)] complexes.

Original language	English
Pages (from-to)	7693-7703
Number of pages	11
Journal	Dalton Transactions
Volume	48
Issue number	22
Early online date	7 May 2019
DOIs	https://doi.org/10.1039/C9DT00841A
Publication status	Published - 14 Jun 2019

ASJC Scopus subject areas

Inorganic Chemistry

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title = "Regression Analysis of properties of [Au(IPr)(CHR2)] complexes",

abstract = "New [Au(IPr)(CHR 2)] complexes have been synthesised through protonolysis reactions of [Au(IPr)(OH)] with moderately acidic substrates, CH 2R 2. An array of spectroscopic (IR and NMR), structural (X-ray), electronic (DFT) and experimental (reactivity) parameters was collected to quantify the variation in stereoelectronic properties of these new and previously reported [Au(IPr)(CHR 2)] complexes. Variation of the R substituents on the carbanion ligands (CHR 2 -) was found to have a crucial impact on parameters characterising the resulting gold complexes. A regression analysis of both experimental and modelled parameters, guided by network analysis techniques, produced linear models that supported trends within the [Au(IPr)(CHR 2)] complexes. ",

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doi = "10.1039/C9DT00841A",

language = "English",

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T1 - Regression Analysis of properties of [Au(IPr)(CHR2)] complexes

AU - Veenboer, Richard M. P.

AU - Azofra, Luis M.

AU - Gasperini, Danila

AU - Collado, Alba

AU - Cordes, David

AU - Slawin, Alexandra M.z.

AU - Cavallo, Luigi

AU - Nolan, Steven P.

PY - 2019/6/14

Y1 - 2019/6/14

N2 - New [Au(IPr)(CHR 2)] complexes have been synthesised through protonolysis reactions of [Au(IPr)(OH)] with moderately acidic substrates, CH 2R 2. An array of spectroscopic (IR and NMR), structural (X-ray), electronic (DFT) and experimental (reactivity) parameters was collected to quantify the variation in stereoelectronic properties of these new and previously reported [Au(IPr)(CHR 2)] complexes. Variation of the R substituents on the carbanion ligands (CHR 2 -) was found to have a crucial impact on parameters characterising the resulting gold complexes. A regression analysis of both experimental and modelled parameters, guided by network analysis techniques, produced linear models that supported trends within the [Au(IPr)(CHR 2)] complexes.

AB - New [Au(IPr)(CHR 2)] complexes have been synthesised through protonolysis reactions of [Au(IPr)(OH)] with moderately acidic substrates, CH 2R 2. An array of spectroscopic (IR and NMR), structural (X-ray), electronic (DFT) and experimental (reactivity) parameters was collected to quantify the variation in stereoelectronic properties of these new and previously reported [Au(IPr)(CHR 2)] complexes. Variation of the R substituents on the carbanion ligands (CHR 2 -) was found to have a crucial impact on parameters characterising the resulting gold complexes. A regression analysis of both experimental and modelled parameters, guided by network analysis techniques, produced linear models that supported trends within the [Au(IPr)(CHR 2)] complexes.

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Regression Analysis of properties of [Au(IPr)(CHR2)] complexes

Abstract

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