Protonation Equilibria in Water at Several Temperatures of Alcohols, Ethers, acetone, Dimethyl Sulfide, and Dimethyl Sulfoxide

1977 ◽  
Vol 99 (21) ◽  
pp. 6983-6986 ◽  
Author(s):  
Giulio Perdoncin ◽  
Gianfranco Scorrano
Keyword(s):  
Dimethyl Sulfoxide ◽  
Dimethyl Sulfide ◽  
Protonation Equilibria

scholarly journals H–Abstraction from Dimethyl Sulfide in the Presence of an Excess of Hydroxyl Radicals. A Quantum Chemical Evaluation of Thermochemical and Kinetic Parameters Unveil an Alternative Pathway to Dimethyl Sulfoxide.

2020 ◽  
Author(s):  
Zoi Salta ◽  
Jacopo Lupi ◽  
Vincenzo Barone ◽  
Oscar Ventura
Keyword(s):  
Dimethyl Sulfoxide ◽  
Hydroxyl Radicals ◽  
Quantum Chemical ◽  
Dimethyl Sulfide ◽  
Computational Study ◽  
Alternative Pathway ◽  
Oxidation Mechanism ◽  
State Theory ◽  
Rate Coefficients ◽  
Reduced Sulfur Compounds

<div> Elucidation of the oxidation mechanism of naturally emitted reduced sulfur compounds, especially dimethyl sulfide, plays a central role in understanding background acid precipitation in the natural environment. Most frequently, theoretical studies of the addition and H-elimination reactions of dimethyl sulfide with hydroxyl radicals are studied considering the presence of oxygen that further reacts with the radicals formed in the initial steps. Although the reaction of intermediate species with additional hydroxyl radicals has been considered as part of the global mechanism of oxidation, few if any attention has been dedicated to the possibility of reactions of the initial radicals with a second •OH molecule. In this work we performed a computational study using quantum-chemical methods, of the mechanism of H-abstraction from dimethyl sulfide under normal atmospheric conditions and in reaction chambers at different O2 partial pressure, including complete absence of oxygen. Additionally, important rate coefficients were computed using canonical and variational transition state theory. The rate coefficient for abstraction affords a 4.72 x 10-12 cm3 molecule1 s-1 value, very close to the most recent experimental one (4.13 x 10-12 cm3 molecule-1 s-1). According to our best results, the initial methyl thiomethyl radical was obtained at -25.2 kcal/mol (experimentally -22.4 kcal/mol), and four important paths were identified on the potential energy surface. From the interplay of thermochemical and kinetic arguments, it was possible to demonstrate that the preferred product of the reaction of dimethyl sulfide with two hydroxyl radicals, is actually dimethyl sulfoxide. </div><div> </div>

ChemInform Abstract: Preparation of Dimethyl Sulfoxide by Oxidation of Synthetic Dimethyl Sulfide.

ChemInform ◽  
2000 ◽  
Vol 31 (49) ◽  
pp. no-no
Author(s):  
I. A. Sharipova ◽  
Kh. M. Nasyrov ◽  
A. Kh. Sharipov
Keyword(s):  
Dimethyl Sulfoxide ◽  
Dimethyl Sulfide

Oxygen atom transfer in the oxidations of dimethyl sulfide and dimethyl sulfoxide by bis(bipyridine)oxo(pyridine)ruthenium(2+)

1987 ◽  
Vol 26 (5) ◽  
pp. 779-781 ◽  
Author(s):  
Lee Roecker ◽  
John C. Dobson ◽  
William J. Vining ◽  
Thomas J. Meyer
Keyword(s):  
Oxygen Atom ◽  
Dimethyl Sulfoxide ◽  
Dimethyl Sulfide ◽  
Atom Transfer ◽  
Oxygen Atom Transfer

Macroscopic and Microscopic Protonation Equilibria of Some α-Amino Acids in Dimethyl Sulfoxide–Water Mixtures

2015 ◽  
Vol 44 (8) ◽  
pp. 1705-1722
Author(s):  
Alev Doğan ◽  
Nazife Aslan ◽  
Pınar E. Erden ◽  
Esin Canel ◽  
Esma Kılıç
Keyword(s):  
Amino Acids ◽  
Dimethyl Sulfoxide ◽  
Protonation Equilibria

Origins of the Acidity Trends in Dimethyl Sulfide, Dimethyl Sulfoxide, and Dimethyl Sulfone

1994 ◽  
Vol 116 (20) ◽  
pp. 9257-9261 ◽  
Author(s):  
Peter Speers ◽  
Keith E. Laidig ◽  
Andrew Streitwieser
Keyword(s):  
Dimethyl Sulfoxide ◽  
Dimethyl Sulfide ◽  
Dimethyl Sulfone

Dimethyl Sulfide and Dimethyl Sulfoxide and Their Oxidation in the Atmosphere

2006 ◽  
Vol 106 (3) ◽  
pp. 940-975 ◽  
Author(s):  
Ian Barnes ◽  
Jens Hjorth ◽  
Nikos Mihalopoulos
Keyword(s):  
Dimethyl Sulfoxide ◽  
Dimethyl Sulfide

Identification of dimethyl sulfide in dimethyl sulfoxide and implications for metal-thiolate disulfide exchange reactions

RSC Advances ◽  
2015 ◽  
Vol 5 (51) ◽  
pp. 40603-40606 ◽  
Author(s):  
Gamage S. P. Garusinghe ◽  
S. Max Bessey ◽  
Chelsea Boyd ◽  
Mostapha Aghamoosa ◽  
Brian G. Frederick ◽  
...  
Keyword(s):  
Dimethyl Sulfoxide ◽  
Dimethyl Sulfide ◽  
Exchange Reactions ◽  
Disulfide Exchange

3 mM p-nitrophenyldisulfide solutions in various solvents: (A) THF, (B) CH2Cl2, (C) (CH3)2CO (acetone), (D) CH3CN, (E) (CH3)2SO (DMSO). The picture for DMSO was taken approximately 1 min after mixing, all other solutions remain colorless at all times.

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