Multivariate analysis of ATR-IR spectroscopic data: applications to the solid-liquid catalytic interface

Langmuir : the ACS Journal of Surfaces and Colloids
Ivelisse Ortiz-HernandezChristopher T Williams

Abstract

It is demonstrated that attenuated total reflection infrared (ATR-IR) spectroscopy coupled with multivariate data analysis can be effectively used for in situ investigation of supported catalyst-liquid interfaces. Both formaldehyde adsorption/dissociation in water and acetonitrile adsorption in hexane on thin (ca 10 mum) films of 5 wt % Pt/gamma-Al(2)O(3) deposited on a germanium waveguide have been investigated. The multivariate analysis applies classical least squares (CLS) and partial least squares (PLS) methods to the ATR-IR data in order to correlate spectral changes with known sources of experimental variation (i.e., time, concentration of solution species, etc.). The formaldehyde adsorption experiments revealed no spectroscopic evidence for adsorbed molecular formaldehyde under the conditions examined. However, the dissociation product carbon monoxide was observed to form in atop configuration on Pt, likely on edges and terrace sites. Isotope labeling experiments suggest that a pair of peaks observed at 1990 and 2060 cm(-)(1) during treatments of Pt in H(2)-saturated water arise at least in part from nu(Pt)(-)(H) stretching of adsorbed atomic hydrogen. Acetonitrile was found to adsorb on the Pt catalyst by sigma-bonding ...Continue Reading

References

May 4, 2000·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·K D Dobson, A J McQuillan
May 1, 2004·Annual Review of Physical Chemistry·Zhong-Qun Tian, Bin Ren

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Citations

Apr 3, 2014·Annual Review of Physical Chemistry·Aditya Savara, Eric Weitz
Sep 8, 2015·Physical Chemistry Chemical Physics : PCCP·Satoshi MuratsuguMizuki Tada
Mar 10, 2021·The Journal of Chemical Physics·Biying ZhangWenyu Huang
Aug 18, 2006·The Journal of Physical Chemistry. B·S Beau Waldrup, Christopher T Williams
Feb 14, 2007·Langmuir : the ACS Journal of Surfaces and Colloids·Ivelisse Ortiz-Hernandez, Christopher T Williams

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