Measurement of the proton affinities of some methyl substituted pyrimidines via the kinetic method on a pentaquadrupole mass spectrometer

The proton affinities of 4,6-dimethyl-pyrimidine and 4-methyl-pyrimidine have been measured using the kinetic method on a pentaquadrupole mass spectrometer. The experimental affinities are compared with those calculated by ab initio molecular orbital methods. Some unexpected results obtained during...

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Bibliographic Details
Published in:International journal of mass spectrometry 2000-01, Vol.194 (2), p.133-143
Main Authors: Thomas, Peter D., Morrison, Richard J.S.
Format: Article
Language:English
Subjects:
Kinetic method
Pentaquadrupole
Proton affinity
Pyrimidine
Tandem mass spectrometry
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Summary:The proton affinities of 4,6-dimethyl-pyrimidine and 4-methyl-pyrimidine have been measured using the kinetic method on a pentaquadrupole mass spectrometer. The experimental affinities are compared with those calculated by ab initio molecular orbital methods. Some unexpected results obtained during this work have been attributed to the formation of the 6-methyl-pyrimidin-4-yl radical and its proton affinity has also been estimated by both theory and experiment.
ISSN:1387-3806
1873-2798
DOI:10.1016/S1387-3806(99)00138-4