Xiang Zhang, Sheng-jun Yao, Yinlong Guo
Feb 15, 2008
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0
Influential Citations
13
Citations
Journal
International Journal of Mass Spectrometry
Abstract
Abstract Intramolecular methyl migration in the protonated N , N ′-dimethylpropane-1,3-diamine and N , N ′-dimethylethane-1,2-diamine were studied by tandem mass spectrometry. Using density function theory at B3lyp/6-31g (d) level, intramolecular S N 2 methyl migration in the protonated N , N ′-dimethylpropane-1,3-diamine and N , N ′-dimethylethane-1,2-diamine were found to proceed by a high-energy inversion mechanism or by a high-energy retention mechanism. With the number of bond between two nitrogen atoms in diamine increasing, the inversion mechanism becomes more favorable.