Can Cluster Structure Affect Kinetic Method Measurements? The Curious Case of Glutamic Acid's Gas-Phase Acidity
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چکیده
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GAS-PHASE ACIDITY OF SOME CARBOXYLIC ACIDS CALCULATED BY MNDO
Gas-phase acidities of 15 aliphatic carboxylic acids, X CH -,COOH, have been calculated using the MNDO method. Among the substituted groups exist the electron donor alkyl groups and electron acceptor halogens. The average error in acidity is within the experimental uncertainty of the data. Systematic errors have been found for the substituents which form internal hydrogen bondings. A reaso...
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Gas phase measurements of mono-fluoro-benzoic acids and the dimer of 3-fluoro-benzoic acid.
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ژورنال
عنوان ژورنال: Journal of the American Society for Mass Spectrometry
سال: 2008
ISSN: 1044-0305
DOI: 10.1016/j.jasms.2008.07.022