Topic
Acetonitrile
About: Acetonitrile is a research topic. Over the lifetime, 11298 publications have been published within this topic receiving 175275 citations. The topic is also known as: cyanomethane & ethyl nitrile.
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TL;DR: In this paper, the water-induced disproportionation of the electrogenerated superoxide ion (O2-) in acetonitrile, dimethylformamide, and dimethyl sulfoxide media containing various concentrations of water as a Bronsted acid has been examined by UV−vis spectroscopy.
Abstract: The water-induced disproportionation of the electrogenerated superoxide ion (O2-) in acetonitrile, dimethylformamide, and dimethyl sulfoxide media containing various concentrations of water as a Bronsted acid has been examined by UV−vis spectroscopy. Analysis of the kinetics as a function of O2- and water concentrations and of the measurement time demonstrated that the disproportionation of O2- by water in these media obeys a common mechanism: O2- + H2O ⇄ HO2• + OH- (k1, k-1) HO2• + O2- → HO2- + O2 (k2) (HO2•, hydroperoxyl radical; HO2-, hydrogen peroxide anion). The solvent dependence of the obtained kinetic parameters of (k1/k-1)k2, k1 and k-1/k2 is discussed in terms of the solvation of O2- and H2O as well as the effective acidities of H2O in different aprotic solvents.
66 citations
TL;DR: The homogeneous catalytic hydration of benzo-and acetonitrile under thermal conditions was achieved using nickel(0) compounds of the type [(dippe)Ni(η 2 -NCR)] with R=phenyl or methyl (compounds 1 and 2, respectively), as the specific starting intermediates as discussed by the authors.
Abstract: The homogeneous catalytic hydration of benzo- and acetonitrile under thermal conditions was achieved using nickel(0) compounds of the type [(dippe)Ni(η 2 -NCR)] with R=phenyl or methyl (compounds 1 and 2, respectively), as the specific starting intermediates. Alternatively, the complexes may be prepared in situ by direct reaction of the precursor [(dippe)NiH] 2 (3) with the respective nitrile. Hydration appears to occur homogeneously, as tested by mercury drop experiments, producing benzamide and acetamide, respectively. Addition of Bu 4 NI did not lead to catalysis inhibition, suggesting the prevalence of Ni(0) intermediates during catalysis. Hydration using analogous complexes of 3, such as [(dtbpe)NiH] 2 (4) and [(dcype)NiH] 2 (5) was also addressed.
66 citations
TL;DR: In this article, the results of a molecular dynamics simulation study of water acetonitrile mixtures over the temperature range 297−415 K are reported, focusing on the microheterogeneous structure present in these mixtures for compositions ranging from 0.1−0.9 mole fraction of water.
Abstract: The results of a molecular dynamics simulation study of water acetonitrile mixtures over the temperature range 297−415 K are reported. The emphasis is on the microheterogeneous structure present in these mixtures for compositions ranging from 0.1−0.9 mole fraction of water. The characterization of the microstructure is presented in terms of site−site pair correlation functions and in terms of the size and shape of water clusters and acetonitrile clusters.
66 citations
TL;DR: In this paper, the potentiodynamic preparation and subsequent characterization of poly[Ni(3-MeOsaltMe)] films (surface concentration, 3 < i/nmol cm -2 < 350) in acetonitrile media are described.
Abstract: We describe the potentiodynamic preparation and subsequent characterization of poly[Ni(3-MeOsaltMe)] films (surface concentration, 3 < i/nmol cm -2 < 350) in acetonitrile media. Coulometric and gravimetric (electrochemical quartz crystal microbalance, EQCM) data allow one to monitor the deposition process and show that the resultant films are physically and chemically stable. Combined EQCM/probe beam deflection measurements were used to quantify the individual contributions (fluxes and population changes) of anions, cations, and solvent to the overall redox switching process. The first redox cycle for a film “rested” in the reduced state results in accumulation of anion (charge) and solvent in the film. The subsequent steadystate response is dominated by a combination of anion and solvent transfers; this takes place in two stages, the second of which involves significantly more solvent entry, to an extent dependent upon time scale. After a sequence of redox cycles, the initial thermodynamically “irreversible” behavior is restored by “resting” the film. Solvation effects are critical determinants of film redox chemistry and dynamics: in addition to controlling the feasibility and stability of deposition, they control film ion transport rate.
66 citations
TL;DR: In this article, the solubility of butyl paraben (butyl 4-hydroxybenzoate) has been determined in methanol, ethanol, propanol, acetone, ethyl acetate, and acetonitrile in the temperature range of (10 to 50) °C.
Abstract: The solubility of butyl paraben (butyl 4-hydroxybenzoate) have been determined in methanol, ethanol, propanol, acetone, ethyl acetate, and acetonitrile in the temperature range of (10 to 50) °C by the gravimetric method. The order of the solubility of butyl paraben in the different solvents as mass fraction at 20 °C is: methanol > ethanol > acetone > propanol > ethyl acetate > acetonitrile. In terms of mole fraction solubility, the corresponding order is acetone > propanol > ethanol > ethyl acetate > methanol > acetonitrile, which shows that both nonpolar and polar groups of the paraben molecule influence the solubility in the different solvents.
66 citations