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

Rik Veenboer; Luis Azofra; Danila Gasperini; Alba Collado; David B. Cordes; Alexandra M. Z. Slawin; Luigi Cavallo; Steven Nolan

doi:10.1039/C9DT00841A

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

Rik Veenboer, Luis Azofra, Danila Gasperini, Alba Collado, David B. Cordes, Alexandra M. Z. Slawin, Luigi Cavallo, Steven Nolan

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

Abstract

New [Au(IPr)(CHR₂)] complexes have been synthesised through protonolysis reactions of [Au(IPr)(OH)] with moderately acidic substrates, CH₂R₂. 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)(CHR₂)] complexes. Variation of the R substituents on the carbanion ligands (CHR₂–) 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)(CHR₂)] complexes.

Original language	English
Pages (from-to)	7693-7703
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

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Copyright © 2019 The Author(s). This work has been made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1039/C9DT00841A
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Regression analysis of properties of [Au(IPr)(CHR2)] complexes (dataset)
Veenboer, R. (Creator), Azofra, L. (Creator), Gasperini, D. (Creator), Collado, A. (Creator), Cordes, D. B. (Creator), Slawin, A. M. Z. (Creator), Cavallo, L. (Creator) & Nolan, S. (Creator), Cambridge Crystallographic Data Centre, 2019
https://dx.doi.org/10.5517/ccdc.csd.cc1yswl6 and 5 more links, https://dx.doi.org/10.5517/ccdc.csd.cc1yswm7, https://dx.doi.org/10.5517/ccdc.csd.cc1yswn8, https://dx.doi.org/10.5517/ccdc.csd.cc1yswp9, https://dx.doi.org/10.5517/ccdc.csd.cc1yswqb, https://dx.doi.org/10.5517/ccdc.csd.cc1yswrc (show fewer)
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title = "Regression analysis of properties of [Au(IPr)(CHR2)] complexes",

abstract = "New [Au(IPr)(CHR2)] complexes have been synthesised through protonolysis reactions of [Au(IPr)(OH)] with moderately acidic substrates, CH2R2. 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)(CHR2)] complexes. Variation of the R substituents on the carbanion ligands (CHR2–) 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)(CHR2)] complexes.",

author = "Rik Veenboer and Luis Azofra and Danila Gasperini and Alba Collado and Cordes, {David B.} and Slawin, {Alexandra M. Z.} and Luigi Cavallo and Steven Nolan",

note = "The European Research Council (ERC) and the Engineering and Physical Sciences Research Council (EPSRC), UK, are gratefully acknowledged for their support. L.C., and S.P.N. thank the King Abdullah University of Science and Technology (KAUST) and Kind Saud University (KSU) for support.",

year = "2019",

month = jun,

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doi = "10.1039/C9DT00841A",

language = "English",

volume = "48",

pages = "7693--7703",

journal = "Dalton Transactions",

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

AU - Veenboer, Rik

AU - Azofra, Luis

AU - Gasperini, Danila

AU - Collado, Alba

AU - Cordes, David B.

AU - Slawin, Alexandra M. Z.

AU - Cavallo, Luigi

AU - Nolan, Steven

N1 - The European Research Council (ERC) and the Engineering and Physical Sciences Research Council (EPSRC), UK, are gratefully acknowledged for their support. L.C., and S.P.N. thank the King Abdullah University of Science and Technology (KAUST) and Kind Saud University (KSU) for support.

PY - 2019/6/14

Y1 - 2019/6/14

N2 - New [Au(IPr)(CHR2)] complexes have been synthesised through protonolysis reactions of [Au(IPr)(OH)] with moderately acidic substrates, CH2R2. 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)(CHR2)] complexes. Variation of the R substituents on the carbanion ligands (CHR2–) 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)(CHR2)] complexes.

AB - New [Au(IPr)(CHR2)] complexes have been synthesised through protonolysis reactions of [Au(IPr)(OH)] with moderately acidic substrates, CH2R2. 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)(CHR2)] complexes. Variation of the R substituents on the carbanion ligands (CHR2–) 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)(CHR2)] complexes.

U2 - 10.1039/C9DT00841A

DO - 10.1039/C9DT00841A

M3 - Article

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VL - 48

SP - 7693

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JO - Dalton Transactions

JF - Dalton Transactions

IS - 22

ER -

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

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Regression analysis of properties of [Au(IPr)(CHR2)] complexes (dataset)

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