Title

Decomposition pathways of some 3,6-substituted s-tetrazines

Document Type

Article

Date of Original Version

7-27-2000

Abstract

The thermal and electron-impact (El) stabilities of eight 3,6-disubstituted-1,2,4,5-tetrazines were examined. Major El peaks were also investigated by tandem mass techniques to construct fragmentation pathways. Tetrazine ring structures were not maintained under electron impact ionization nor under conditions of thermal decomposition. Under electron impact, the tetrazines examined shared the same initial fragmentation pathways: elimination of two of the nitrogen atoms as N2 from the tetrazine ring and cleavage of the remaining N-N bond. This pathway was also applicable to thermal decomposition; however, the main route involved dissociation of the substituent group, in some cases assisted by proton transfer. © 2000 American Chemical Society.

Publication Title

Journal of Physical Chemistry A

Volume

104

Issue

29

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