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

by Richard MP Veenboer, Luis Miguel Azofra, Danila Gasperini, Alba Collado, David B Cordes, et.al.
Year: 2019 DOI: https://doi.org/10.1039/C9DT00841A

Extra Information

Dalton Trans.

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.