Abstract
The MNDO method was used to calculate the geometrical parameters and relative energy of the terminal tautomeric structures of 2-aminothiazoline and 2-iminothiazolidine. The hydrogen bond energy and barrier to proton transfer in the cyclic dimers of these molecules were evaluated. The amino and imino structure were assigned for a series of phenyl-, alkyl-, and alkenyl-2-aminothiazolines using IR and PMR spectroscopy.
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