Infrared spectra of surface hydroxyl groups and crystalline structure of oxides

Цыганенко, А. А.; Филимонов, В. Н.

doi:10.1016/0022-2860(73)85136-1

Cited by 327 publications

(195 citation statements)

References 11 publications

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“…Thus interpreting the hydroxyl band position must be done carefully, considering the possibility of hydrogen bonding at higher degrees of hydration. Tsyganenko and Filimonov also report an IR band at 3380 cm −1 , assigned to hydrogen-bonded hydroxyl groups 3,71 . Unresolved broad bands at 3600 − 2800 cm −1 are assigned to hydrogen-bonded polynuclear water species 61 based on the IR spectra of hydrogen bonding of water 83 .…”

Section: Crystal Structure and Surfacesmentioning

confidence: 96%

“…Typical hydroxyl sites reported on monoclinic zirconia include terminal OH groups (also known as monocoordinated OH) and tribridged OH groups, first assigned by Tsyganenko and Filimonov as a part of a wider study on different oxides including cerium, hafnium, magnesium, nickel, cobalt and several other oxides 3,71 . Schematic drawings of the hydroxyl groups are presented in Fig.…”

Section: Crystal Structure and Surfacesmentioning

confidence: 99%

“…Monoclinic zirconia (also known as baddeleyite) is an oxide typically covered with hydroxyl species, similar to many metal oxides 3 used as catalysts and catalyst support materials. The structure of monoclinic zirconia provides a more versatile surface than the other polymorphs (cubic, tetragonal) due to a less symmetrical lattice 4 .…”

Section: Introductionmentioning

confidence: 99%

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Review: monoclinic zirconia, its surface sites and their interaction with carbon monoxide

Kouva

Honkala

Lefferts

et al. 2015

Catal. Sci. Technol.

150

138

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Section: Crystal Structure and Surfacesmentioning

confidence: 96%

Section: Crystal Structure and Surfacesmentioning

confidence: 99%

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Review: monoclinic zirconia, its surface sites and their interaction with carbon monoxide

Kouva

Honkala

Lefferts

et al. 2015

Catal. Sci. Technol.

150

138

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“…This result suggests that only some of the OH groups involved in the band at 3740 cm -1 contribute to basic reactivity. Indeed, this band is rather complex and the nature of the corresponding OH groups is not straightforward [34][35][36][37][38][39][40].…”

Section: Hydroxylated Surfacesmentioning

confidence: 99%

“…They are decomposed into two main components: the sharp band at 3650-3800 cm -1 is usually assigned to "isolated" hydroxyl groups and a broad one at low frequency (3200-3650 cm -1 ), less thermally stable, as it almost disappears above 773 K, is assigned to H-bonded OH groups [34][35][36][38][39][40]. However, the shape of the former band changes for increasing evacuation temperatures, indicating that it is a multicomponent band.…”

Section: General Featuresmentioning

confidence: 99%

Role of Hydroxyl Groups in the Basic Reactivity of MgO: a Theoretical and Experimental Study

Chizallet¹,

Costentin²,

Bazin³

et al. 2006

Oil & Gas Science and Technology - Rev. IFP

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Résumé -Rôle des groupes hydroxyles sur la réactivité basique de MgO : étude expérimentale et théorique -Des surfaces propres (exemptes de carbonates et d'hydroxyles) et hydroxylées de MgO de différentes morphologies sont utilisées pour étudier la corrélation entre basicité thermodynamique de Brønsted (évaluée par le pouvoir déprotonant vis à vis du méthanol et du propyne suivi par FTIR) et réac-tivité basique (évaluée par le test de conversion du 2-methyl-but-3-yn-2-ol (MBOH)). Si une corrélation est obtenue dans le cas des surfaces propres, par contre pour les surfaces hydroxylées, les groupes OH bien que bases faibles de Brønsted sont plus actifs que les ions oxydes O 2-. Ces groupes OH donnent en infra-rouge une bande étroite ν OH à haute fréquence. Afin de les identifier, des surfaces impliquant des ions O 2-LC et Mg 2+ LC de basse coordinence (low coordination = LC) ont été modélisées par calculs DFT. Tous les sites dissocient l'eau : excepté pour les crans et bilacunes où les OH formés peuvent être considérés comme isolés, dans tous les autres cas, les OH formés sont liés par pont hydrogène. Les fréquences infra-rouge obtenues par calculs sont en accord avec le spectre expérimental qui présente deux domaines : l'un, large et situé à basse fréquence (ν OH < 3700 cm -1 ), est attribué aux hydroxyles donneurs Study -Clean (i.e., carbonate-and hydroxyl-free) and hydroxylated MgO surfaces of various morphologies were used to study the correlation between thermodynamic Brønsted basicity (evaluated by the deprotonation of methanol and propyne followed by FTIR) and basic reactivity (evaluated by the conversion of Abstract -Role of Hydroxyl Groups in the Basic Reactivity of MgO: a Theoretical and Experimental

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Vibrational Spectroscopy in the Study of Oxide (Excluding Zeolites) and Sulfide Catalysts

Payen

Grimblot

Lavalley³

et al. 2001

Handbook of Vibrational Spectroscopy

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The sections in this article are Introduction Infrared Spectroscopy IR Characterization of Surface Properties of Metal Oxides Information Deriving from the Activated Oxide Spectra Lattice Vibrations Surface Oxide Sites Identification of Main Impurities in Metal Oxides Electronic Transitions Hydroxyl Groups Information Deriving from Probe Adsorption Acidity Basicity Cationic and Redox Sites: Use of Methanol as Probe for Local Arrangement and Oxidation State Determination of Surface Cationic Sites IR Characterization of Oxide and Sulfide Supported Catalysts Information Deriving from the Spectrum of the Activated Catalyst Information Deriving from Probe Molecule Adsorption CUS Characterization of the Sulfided Phase B rønsted Acid Site Characterization of the Sulfided Phase Site Transformation in the Presence of H 2 Surface Characterization and Catalysis Conclusion R aman Spectroscopy General Considerations Bulk Oxide Catalysts Supports Supported Oxides Nature of the Supported Oxide Chemical Processes Involved During Catalyst Synthesis Adsorption of Probe Molecules Surface B rønsted and Lewis Acid Sites Adsorption of Molecules Acting as Reagents Active Phase: Genesis and Characterization Genesis of the Hydrodesulfurization Active Phase Sulfided Catalyst Catalyst Reactivity Conclusion Concluding Remarks and Outlook

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Infrared spectra of surface hydroxyl groups and crystalline structure of oxides

Cited by 327 publications

References 11 publications

Review: monoclinic zirconia, its surface sites and their interaction with carbon monoxide

Review: monoclinic zirconia, its surface sites and their interaction with carbon monoxide

Role of Hydroxyl Groups in the Basic Reactivity of MgO: a Theoretical and Experimental Study

Vibrational Spectroscopy in the Study of Oxide (Excluding Zeolites) and Sulfide Catalysts

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