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

Veenboer, Richard M P; Azofra, Luis Miguel; Gasperini, Danila; Collado, Alba; Cordes, David B; Slawin, Alexandra M Z; Cavallo, Luigi; Nolan, Steven P

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Article

Authors

Veenboer, Richard M P
Azofra, Luis Miguel
Gasperini, Danila
Collado, Alba
Cordes, David B
Slawin, Alexandra M Z
Cavallo, Luigi

Nolan, Steven P

KAUST Department

Chemical Science Program
KAUST Catalysis Center (KCC)
Physical Science and Engineering (PSE) Division

Date

2019

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http://hdl.handle.net/10754/652814

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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.

Citation

Veenboer RMP, Azofra LM, Gasperini D, Collado A, Cordes DB, et al. (2019) Regression analysis of properties of [Au(IPr)(CHR2)] complexes. Dalton Transactions. Available: http://dx.doi.org/10.1039/c9dt00841a.

Sponsors

The European Research Council (ERC) and the Engineering and Physical Sciences Research Council (EPSRC), UK, are gratefully acknowledged for their support. Umicore AG is thanked for generous donations of auric acid. L. C., and S. P. N. thank the King Abdullah University of Science and Technology (KAUST) and King Saud University (KSU) for support. We also thank the KAUST Supercomputing Laboratory housing the Shaheen II supercomputer for providing the computational resources. Dr Liam Ball is thanked for his help with the kinetics data analysis. L. M. A. is an ULPGC Postdoc Fellow, and thanks Universidad de Las Palmas de Gran Canaria (ULPGC).