Infra-red studies of rutile surfaces. Part 1

Jones, P. J.; Hockey, J. A.

doi:10.1039/tf9716702669

Cited by 114 publications

(41 citation statements)

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“…On further heating, more HCl comes off near 625 K, resulting from the remaining OR groups. In the reaction with SOCI 2 , HCl and S02 are formed which are firmly adsorbed on Ti0 2 at low temperatures [445,714]. The S02 content became negligible only after evacuation at K, and the quantity of chloride on the surface corresponded to that of active hydrogen on the original surface [445,495].…”

Section: Modification Of Metal Oxide Surfacesmentioning

confidence: 95%

“…The greatest part of the hydroxyl groups was found to be removed from the Ti0 2 surface at 575 K [80,445]. However, a few isolated hydroxyl groups remain on the surface of some samples at higher temperatures [78,[714][715][716]. In the case of alumina, a relatively higher proportion of hydroxyl groups is retained after heat treatment to temperatures in the region of 670 K to 870 K [88,717].…”

Section: Modification Of Metal Oxide Surfacesmentioning

confidence: 98%

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Nature and Estimation of Functional Groups on Solid Surfaces

Boehm

Knözinger

1983

Catalysis

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Section: Modification Of Metal Oxide Surfacesmentioning

confidence: 95%

Section: Modification Of Metal Oxide Surfacesmentioning

confidence: 98%

Nature and Estimation of Functional Groups on Solid Surfaces

Boehm

Knözinger

1983

Catalysis

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“…3a) could be due to the presence of silica impurity as has been shown for example in rutile by Jones and Hockey (1971). On the other hand, absorption bands at 3740 cm -~ have been mentioned by Angell and Schaffer (1965) in zeolites and by Cannings (1968) in sepiolite and ascribed in both cases to Si-OH vibrations.…”

Section: Dehydrationmentioning

confidence: 96%

Infrared Study of Attapulgite and HCl Treated Attapulgite

Mendelovici

1973

Clays and clay miner.

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Abstract--Infrared absorption spectra show important changes in the positions and form of the absorption bands of a film of attapulgite after it has been pumped out. An attempt to differentiate among some of the multiple frequencies due to OH groups is based on the information obtained from dehydration and deuteration experiments. The 1198 cm -~ shoulder, characteristic of attapulgite, is assigned to a Si-O vibration. When attapulgite is refluxed with 5N HCI for 5 hr the octahedral layer is dissolved. The acid attack causes the disappearance of the Si-O-Si absorption bands from attapulgite giving rise to a characteristic vibration at 1090 cm -~, as well as another absorption at 960 cm -1. The latter indicates the presence of silanol groups. INTRODUCTION THE i.r. spectra of attapulgite have been reported by Gonzalez Garcia et al. (1956) and by Otsuka et al. (1968). Also, infrared studies of heated attapulgite have been published (Ovcharenko, 1966;Hayashi et al., 1969;Taracevich, 1970).The object of this work is to present additional information on the behavior of attapulgite when evacuated. Moreover, some interpretations regarding the frequencies of the OH groups are based on isotopic exchange experiments.Another aspect of this work deals with the modification of attapulgite upon HC1 attack. I.R. spectra of HC1 treated attapulgite have not been previously reported.

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“…According to Jones et al [69,70], three major crystallographic faces were identified in rutile powders: (110), (101) and (100) There are also two kinds of oxygen atoms, the first one is localised in the surface plane and is threefold coordinated (noted Os); the second is prominent from the surface by about 1 Å and is only doubly coordinated (noted Ob for "bridging" oxygen) and can be considered as a Lewis basic site. Surface energies were calculated using Eq.…”

Section: Dry (110) Facementioning

confidence: 99%

Combined investigation of water sorption on TiO2 rutile (110) single crystal face: XPS vs. periodic DFT

et al. 2007

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XPS and periodic DFT calculations have been used to investigate water sorption on the TiO 2 rutile (110) face. Two sets of XPS spectra were collected on the TiO 2 (110) single crystal 2 clean and previously exposed to water: the first set with photoelectrons collected in a direction parallel to the normal to the surface; and the second set with the sample tilted by 70°, respectively. This tilting procedure promotes the signals from surface species and reveals that the first hydration layer is strongly coordinated to the surface and also that, despite the fact that the spectra were recorded under ultra-high vacuum, water molecules subsist in upper hydration layers. In addition, periodic DFT calculations were performed to investigate the water adsorption process to determine if molecular and/or dissociative adsorption takes place.The first step of the theoretical part was the optimisation of a dry surface model and then the investigation of water adsorption. The calculated molecular water adsorption energies are consistent with previously published experimental data and it appears that even though it is slightly less stable, the dissociative water sorption can also take place. This assumption was considered, in a second step, on a larger surface model where molecular and dissociated water molecules were adsorbed together with different ratio. It was found that, due to hydrogen bonding stabilisation, molecular and dissociated water molecules can coexist on the surface if the ratio of dissociated water molecules is less than ≈ 33 %. These results are consistent with previous experimental works giving a 10-25 % range.

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Infra-red studies of rutile surfaces. Part 1

Cited by 114 publications

References 0 publications

Nature and Estimation of Functional Groups on Solid Surfaces

Nature and Estimation of Functional Groups on Solid Surfaces

Infrared Study of Attapulgite and HCl Treated Attapulgite

Combined investigation of water sorption on TiO2 rutile (110) single crystal face: XPS vs. periodic DFT

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