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

R.M.P. Veenboer, L.M. Azofra, D. Gasperini, A. Collado, D.B. Cordes, A.M.Z. Slawin, L. Cavallo, S.P. Nolan
Dalton Transactions, (2019)

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

Keywords

Protonolysis reactions, Regression analysis

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.

Code

DOI: 10.1039/C9DT00841A

Sources

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