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Title: The molecular structures of some heterocyclic compounds
Author: Brookman, Charles Alexander
Awarding Body: University of Edinburgh
Current Institution: University of Edinburgh
Date of Award: 1993
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The gas-phase molecular structures of 2-chloropyridine, 3-chloropyridine, 4-chloropyridine, chloropyrazine, 1,2,3-triazine, 1,3,5-triazine and 1,2,4,5-tetrazine have been determined by electron differaction, and, in the case of the first two and the fourth, by combining them with microwave spectoscopy data. Of particular interest was the combination of ring distortion effects arising from both the chlorine substituent and the nitrogen heteratom. The results tend to indicate a more complicated system than that of purely substituent effects, an area already well documented. One of the interesting facts to emerge from this study is the possible breakdown of this superposition method of predicting distortions when the ring geometry is highly distorted from the hexagonal . When several heteroatoms are present in the ring, especially if they distort in a mutually constructive manner, such high distortions may result. Predictions are then unreliable for determining the extent to which each ring angle is affected. It was also found that the presence of the nitrogen enhances the power of the chlorine to distort the ring, adding further to the evidence that the distortions might not be merely additive.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available