Easing Intermediates Search by Combining Spectroscopy and Multivariate Curve Reconstruction: [Cu^I(6,6'-dimethyl-2,2'-bipyridyl)₂]PF₆ Oxidation as Case Study.

ABSTRACT: Despite their prevalence in catalysis, complex reaction mixtures are not trivial to investigate and disentangle. Different approaches can be applied to characterize them, even featuring low-dimensionality data sets. The liquid-phase reaction of [Cu^I(6,6'-dimethyl-2,2'-bipyridyl)₂]PF₆ (Cu^I) with tert-butyl hydroperoxide is investigated: two Cu^II species are found upon oxidation of the pristine complex, characterized by different spectroscopic and kinetics fingerprints. Coupling EPR and UV-vis spectroscopies with chemometric methods (namely, multivariate curve reconstruction, MCR) allowed for easily retrieving pure spectral features and concentration profiles. Spectrokinetic analysis independently showed an optimal a

SUBMITTER: Deplano G 

PROVIDER: S-EPMC11849003 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature