Conformal monolayers on TiO2 surfaces will form upon thermal grafting at mild reaction conditions of aryl iodides with the loss of the iodine atom.  Most of the experimental investigation into this reaction has involved the use of molecules containing a �CF3 group as XPS and FTIR characterization tag, but there is some FTIR and computational evidence that molecules containing electron-donating groups will also thermally graft to TiO2.  However, these molecules lack a compelling XPS characterization tag such as �CF3, and therefore another method of analyzing the XPS data is desired to confirm the presence of the molecule.  Principal component analysis can be applied to try to determine the surface coverage of molecules containing �OCH3, -CH3, and �H as functional groups, as well as to test the hypothesis that during thermal grafting the molecule reacts with surface TiOH groups to form new Ti-O-C linkages.

Principal component analysis of X-ray photoelectron spectroscopy data from TiO<sub>2</sub> functionalized through thermal grafting of aromatic halides

246th National Meeting (2013)

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Principal component analysis of X-ray photoelectron spectroscopy data from TiO2 functionalized through thermal grafting of aromatic halides

Principal component analysis of X-ray photoelectron spectroscopy data from TiO₂ functionalized through thermal grafting of aromatic halides