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.

Biodegradation of cyanide compounds by a Pseudomonas species (S1).

Abstract: A Pseudomonas sp. (S1), isolated from soil by an enrichment technique was tested for its potential to degrade different cyanide compounds. Further, biodegradation/biotransformation of binary mixtures of the cyanide compounds by the culture was also studied. The results indicated that the culture could grow on the following nitriles by using them as carbon and nitrogen sources: acetonitrile, butyronitrile, acrylonitrile, adiponitrile, benzonitrile, glutaronitrile, phenylacetonitrile, and succinonitrile. Studies on the biodegradation of these cyanide compounds in binary mixtures showed that the presence of acrylonitrile or KCN delayed the degradation of acetonitrile in a mixture, while none of the other cyanide compounds affected the degradation of one another. The transformation products of the nitriles were their corresponding acids, and similarly, KCN was also directly transformed to formic acid. Studies on the transformation of these cyanide compounds showed that the rate of transformation of nitriles to their corresponding carboxylic acids was acrylonitrile > acetonitrile > adiponitrile > benzonitrile > KCN. This culture has the unique characteristic of transforming representatives of saturated aliphatic, aliphatic olefinic, aromatic, and aralkyl nitriles, as well as alkali cyanide, to their corresponding carboxylic acids.

Solvent Effects on Solute Electronic Structure and Properties: Theoretical Study of a Betaine Dye Molecule in Polar Solvents

Abstract: The electronic structure of the betaine dye molecule, pyridinium- N-phenoxide [4-(1-pyridinio)phenolate] including the effects of geometry and polar solvents, has been studied at an ab initio level using the reference interaction site model self-consistent-field (RISM-SCF) method. Acetonitrile (CH3CN) and water (H2O) were selected as polar solvents. We obtain both the optimized solute geometry in solution and the total free energy profile with respect to variation in the torsion angle between the pyridinium and phenoxide rings and analyze the various electronic and solvation contributions. The betaine molecule in the gas phase has a twisted geometry, which is slightly more twisted in solution. In acetonitrile, the calculated structure shows good agreement with earlier semiempirical results for the minimum free energy structure. It is shown that the solute dipole moment is strongly enhanced in polar solution, also in accord with earlier semiempirical calculations. However, in solution, there is relatively ...

A study of ion pairing in acetonitrile solutions containing magnesium perchlorate using attenuated total reflection FTIR spectroscopy

Abstract: A study of ion pairing for Mg(ClO 4 ) 2 dissolved in acetonitrile has been carried out using attenuated total reflection FTIR spectroscopy. The present results indicate that the coordination number for ligands around the Mg 2+ ion is approximately four, and not six as previously reported. Ion pairing is relatively strong with 70% of the Mg 2+ ions forming contact ion pairs with one perchlorate ion. The spectral characteristics of acetonitrile associated with Mg 2+ have been clearly distinguished from those of the free molecule