Assignments of Bending Vibrations of Ammonia Adsorbed on Solid Surfaces

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著者	Suganuma Satoshi Center for Research on Green Sustainable Chemistry, Graduate School of Engineering, Tottori University 研究者総覧 KAKEN 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 研究者総覧 KAKEN
キーワード	Heterogeneous catalysis Thermal desorption Characterization (FT)IR Spectroscopy and General Characterisation Mass Spectrometry Acid catalysis DFT
抄録	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.
出版者	Springer
資料タイプ	学術雑誌論文
外部リンク	https://link.springer.com/article/10.1007%2Fs10562-015-1592-6
ISSN	1572879X
書誌ID	AA11959180
掲載誌名	Catalysis letters
最新掲載誌名	Catalysis letters
巻	145
号	10
開始ページ	1904
終了ページ	1912
発行日	2015
出版者DOI	10.1007/s10562-015-1592-6
著者版フラグ	著者版
著作権表記	© Springer Science+Business Media New York 2015
掲載情報	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.
部局名	工学部・工学研究科
言語	英語