Structural influences on the oxidation of a series of 2-benzothiazoline analogs

MA Lynn, LJ Carlson, H Hwangbo, JM Tanski…

Index: Lynn, Matthew A.; Carlson, Lauren J.; Hwangbo, Hyeon; Tanski, Joseph M.; Tyler, Laurie A. Journal of Molecular Structure, 2012 , vol. 1011, p. 81 - 93

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Citation Number: 8

Abstract

We have examined the molecular and electronic structures of a number of benzothiazoline (Bt) and benzothiazole (oBt) analogs that possess phenyl and heterocycle substituents at the 2-position and discuss the ground-state factors that influence the relative rates at which these benzothiazolines are oxidized to benzothiazoles. Our studies indicate that the substituent at the 2-position in the benzothiazoline plays a fundamental role in governing ...