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Authors
Suganuma, Satoshi Center for Research on Green Sustainable Chemistry, Graduate School of Engineering, Tottori University Tottori University Researchers KAKEN Search Researchers
Murakami, Yuta Department of Chemistry and Biotechnology, Graduate School of Engineering, Tottori University
Ohyama, Jota Department of Chemistry and Biotechnology, Graduate School of Engineering, Tottori University
Torikai, Tatsuya MicrotracBEL Corp.
Okumura, Kazu Department of Applied Chemistry, Faculty of Engineering, Kogakuin University
Katada, Naonobu Department of Chemistry and Biotechnology, Graduate School of Engineering, Tottori University Tottori University Researchers KAKEN Search Researchers
Keywords
Heterogeneous catalysis
Thermal desorption
Characterization
(FT)IR
Spectroscopy and General Characterisation
Mass Spectrometry
Acid catalysis
DFT
NDC
Natural science
Abstract
Bending vibrations in the infrared (IR) spectra of ammonia adsorbed on Lewis acidic metal oxides, i.e., Al2O3, ZrO2 and TiO2, and zeolite were analyzed with an aid of density functional theory (DFT) calculations. The results by DFT methods reveal the wavenumbers of the vibration modes (ν4 and ν2) of NH4 bonded to Brønsted acid site and the vibration modes (δs and δd) of NH3 species coordinated to a Lewis acidic metal center (M = Al, Zr or Ti). The wavenumbers calculated based on DFT were reasonably in agreement with the experimentally observed values. The estimation of wavenumbers suggests that the δs vibration of NH3 hydrogen-bonded is invisible on a zeolite, because it is hidden by an intense absorption due to skeletal vibration. On the other hand, multiple bands of asymmetric bending modes (δd and ν2) observed on a zeolite were assigned. A quantification method of Brønsted and Lewis acid sites, and hydrogen-bonded NH3 is provided based on the peak assignments.
Publisher
Springer
Content Type
Journal Article
Link
ISSN・ISBN
1572879X
NCID
AA11959180
Journal Title
Catalysis letters
Current Journal Title
Catalysis letters
Volume
145
Issue
10
Start Page
1904
End Page
1912
Published Date
2015
Publisher-DOI
Text Version
Author
Rights
© Springer Science+Business Media New York 2015
Citation
Suganuma, S., Murakami, Y., Ohyama, J. et al. Assignments of Bending Vibrations of Ammonia Adsorbed on Solid Surfaces. Catalysis letters. 2015, 145, 1904-1912. / This is a post-peer-review, pre-copyedit version of an article published in "Catalysis letters". The final authenticated version is available online at: http://doi.org/10.1007/s10562-015-1592-6.
Department
Faculty of Engineering/Graduate School of Engineering
Language
English