Studies of the Sulfoxidation of Alkanes. I. The Dependence of the Sulfoxidation Rate on the Conversion and the SO2/O2 Ratio.

This volume is an update of the Solubility Data Series Volume 7 published in 1981 on oxygen and ozone. For this volume, the literature was covered from 1981 to 2009 with some papers from 2010. Some earlier papers missed in the 1981 volume are included. Interest in the solubility of oxygen and of ozone continues to be high. The solubility of oxygen in water at low pressure seems well established, but more work is needed on the solubility of oxygen in water at high pressure and high temperature. There is now a wealth of salt-effect data on the solubility in aqueous salt solutions, but some glaring discrepancies still exist. Little has been done on salt effects at high pressure and high temperature. The solubility data of oxygen in hydrocarbons seem sparse. The solubility of oxygen in alcohols through C 5 seems well established. Between the 1981 volume and this volume, there are solubility data in over 70 fluorocarbons and fluorocarbon compounds with O, H, S, and N. A new area is the solubility of oxygen in ionic liquids, which are becoming increasingly important as replacement solvents for volatile organic solvents. Information on the solubility of ozone in water, aqueous solutions and organic liquids has also been updated. Ó 2014 AIP Publishing LLC. [http://dx.

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“…(2) Normal alkane mixture C 10 -C 13 (2) Normal alkane mixture C 13 -C 17 Original Measurements: 116 B. Bjellqvist, Acta Chem. Scand.…”

Section: -122mentioning

confidence: 99%

IUPAC-NIST Solubility Data Series. 103. Oxygen and Ozone in Water, Aqueous Solutions, and Organic Liquids (Supplement to Solubility Data Series Volume 7)

Miyamoto¹,

Yampolski²,

Young³

2014

Journal of Physical and Chemical Reference Data

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“…Considering the other reaction steps proposed by Graf, very high dissociation energies of the persulfonic acid (H 3 CSO 2 O 2 H) and an endothermic reaction for the CH-bond activation via H 3 CSO 2 O 2 • are found in all three cases. As mentioned before, discrepancies in the proposed mechanisms were discussed by other works and require a deeper investigation …”

Section: Discussionmentioning

confidence: 88%

“…These results indicate that the proposed mechanism of Graf is still incomplete. Along these lines, Bjellqvist suggested a different pathway . Starting from the persulfonic acid (RSO 2 O 2 H), a reaction with another SO 2 should occur, leading to a RSO 2 O 2 H*SO 2 complex that reacts into the required sulfonic acid radical (RSO 3 • ) and a HSO 3 • radical as shown in eqs and …”

Section: Resultsmentioning

confidence: 99%

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Quantum Chemical Investigation of Photocatalytical Sulfoxidation of Hydrocarbons on TiO₂

Gerhards

Klüner

2021

J. Phys. Chem. C

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The production of sulfonic acids which are required as precursors for detergents, dyes, and drugs can be performed by the sulfoxidation of hydrocarbons. In this industrial process, SO2 is electronically excited by UV light, and a CH-bond activation is initiated. This leads to a radical reaction mechanism that eventually results in the formation of sulfonic acid as a product. Recent research has demonstrated that the sulfoxidation of hydrocarbons on titanium dioxide as a photocatalyst can be carried out by using visible light (400–420 nm). This offers new efficient industrial possibilities. However, first studies have shown that the reaction mechanism on the titanium dioxide surface may contrast with the known gas phase mechanism. In this work, the sulfoxidation of hydrocarbons on titanium dioxide (anatase and rutile modification) is investigated in more detail with regard to the adsorption of SO2, the CH-bond activation, and other reaction steps using quantum chemical simulations from first principles. Discrepancies with regard to the up-to-now established reaction mechanism will be elucidated, and important aspects, such as the poisoning of the catalyst, will be identified.

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“…[11,12] On the other hand, it is well known that the UV irradiation reaction between SO 2 and O 2 produces SO 3 . [13][14][15][16] It has been reported that SO 3 reacts with polyethylene films to yield sulfonic acid groups, although several reports on the reaction propose different sulfonation mechanisms.…”

Section: Introductionmentioning

confidence: 99%

Photosulfonation of Low‐Density Polyethylene Films

Kaneko¹,

Sato

2004

Macro Chemistry & Physics

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Summary: Photosulfonation of low‐density polyethylene (LDPE) films by UV irradiation in the presence of gaseous sulfur dioxide (SO2) and oxygen (O2) was studied by attenuated total reflectance (ATR) infrared spectroscopy and X‐ray photoelectron spectroscopy (XPS). The ATR and XPS analysis and chemical modification of UV‐irradiated LDPE films demonstrated the generation of CC double bonds and sultones in the reaction. These results indicated the possibility that sulfur trioxide (SO3) was produced during the photosulfonation. New pathways for the SO3 reaction with LDPE films, resulting in the formation of sulfonic acid groups, were proposed.Overview of the mechanism proposed for the photosulfonation of low‐density polyethylene by SO3 (produced upon UV‐irradiation of gaseous SO2 and O2).imageOverview of the mechanism proposed for the photosulfonation of low‐density polyethylene by SO3 (produced upon UV‐irradiation of gaseous SO2 and O2).

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Studies of the Sulfoxidation of Alkanes. I. The Dependence of the Sulfoxidation Rate on the Conversion and the SO2/O2 Ratio.

Cited by 15 publications

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IUPAC-NIST Solubility Data Series. 103. Oxygen and Ozone in Water, Aqueous Solutions, and Organic Liquids (Supplement to Solubility Data Series Volume 7)

IUPAC-NIST Solubility Data Series. 103. Oxygen and Ozone in Water, Aqueous Solutions, and Organic Liquids (Supplement to Solubility Data Series Volume 7)

Quantum Chemical Investigation of Photocatalytical Sulfoxidation of Hydrocarbons on TiO₂

Photosulfonation of Low‐Density Polyethylene Films

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Studies of the Sulfoxidation of Alkanes. I. The Dependence of the Sulfoxidation Rate on the Conversion and the SO2/O2 Ratio.

Cited by 15 publications

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IUPAC-NIST Solubility Data Series. 103. Oxygen and Ozone in Water, Aqueous Solutions, and Organic Liquids (Supplement to Solubility Data Series Volume 7)

IUPAC-NIST Solubility Data Series. 103. Oxygen and Ozone in Water, Aqueous Solutions, and Organic Liquids (Supplement to Solubility Data Series Volume 7)

Quantum Chemical Investigation of Photocatalytical Sulfoxidation of Hydrocarbons on TiO2

Photosulfonation of Low‐Density Polyethylene Films

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Product

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Quantum Chemical Investigation of Photocatalytical Sulfoxidation of Hydrocarbons on TiO₂