Developing Curve Fitting Procedure using X-ray Photoelectron Spectroscopy for N-Heterocyclic Carbenes
Abstract
N-Heterocyclic Carbenes (NHCs) are robust organic compounds, functionalized for binding metals through their strong sigma (σ) bond. This can provide a connection between certain metals and a protective coating that prevents corrosion. An X-ray photoelectron spectroscopy (XPS) peak fitting model was developed for 1,3-diisopropyl benzoimidazolium (iPrNHC) and some of its derivates. This informative and reproducible XPS peak-fitting model aimed to provide a curve-fitting routine for most bulk NHCs whilst also accounting for adventitious carbon on the surface of the sample. Additionally, this peak model was applied to XPS data from an application of the iPrNHC deposited onto mild steel. The model will be verified by using Multivariate Curve Regression (MCR), which is a form of chemometrics used to verify large sets of data.