Identifying surface species by vibrational spectroscopy: Bridging vs monodentate nitrates

Journal article


Publication Details

Author(s): Desikusumastuti A, Staudt T, Gronbeck H, Libuda J
Journal: Journal of Catalysis
Publisher: ACADEMIC PRESS INC ELSEVIER SCIENCE
Publication year: 2008
Volume: 255
Journal issue: 1
Pages range: 127-133
ISSN: 0021-9517


Abstract

Identification of surface species by IR spectroscopy is often based on common knowledge, with a clear risk of misassignment. Combining density functional theory (DFT) and IR reflection absorption spectroscopy (IRAS), we investigated surface nitrate formation on BaO/Al2O3 thin films. We found that it is not possible to identify coordination geometries of nitrates based solely on their vibrational frequencies. For metal-supported thin films, however, differences in polarization of the NO stretching modes facilitate unambiguous identification. In contrast to traditional assignments, we show that both bridging and monodentate nitrates are formed on BaO, whereas on Al2O3 bridging nitrates dominate. (c) 2008 Elsevier Inc. All rights reserved.


FAU Authors / FAU Editors

Libuda, Jörg Prof. Dr.
Professur für Physikalische Chemie


External institutions with authors

Chalmers University of Technology / Chalmers tekniska högskola


How to cite

APA:
Desikusumastuti, A., Staudt, T., Gronbeck, H., & Libuda, J. (2008). Identifying surface species by vibrational spectroscopy: Bridging vs monodentate nitrates. Journal of Catalysis, 255(1), 127-133. https://dx.doi.org/10.1016/j.jcat.2008.01.019

MLA:
Desikusumastuti, Aine, et al. "Identifying surface species by vibrational spectroscopy: Bridging vs monodentate nitrates." Journal of Catalysis 255.1 (2008): 127-133.

BibTeX: 

Last updated on 2019-20-02 at 08:38